CCOC(=O)CCCOC1=CC=C(C=C1)CC(C)(C)N
CAS: 868125-41-1
Name: ethyl 4-[4-(2-amino-2-methylpropyl)phenoxy]butanoate
SMILES: CCOC(=O)CCCOC1=CC=C(C=C1)CC(C)(C)N

Molecular Processing

Molecular formula
C16H25NO3
Molecular weight
279.38
Exact mass
279.1834
XLogP
2.69
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
79.77

Supplementary Information

InChIKey: KBWPQCZSQPXEDG-UHFFFAOYSA-N
Synonyme
SCHEMBL564442ethyl 4-(4-(2-amino-2-methylpropyl)phenoxy)butanoateKBWPQCZSQPXEDG-UHFFFAOYSA-N868125-41-1DB-124848ethyl 4-[4-(2-amino-2-methylpropyl)phenoxy]butyrateethyl 4-[4-(2-amino-2-methyl-propyl)-phenoxy]-butyrate
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