CCCNC(CCOC1=CC=CC=C1)CO
Name: 4-phenoxy-2-(propylamino)butan-1-ol
SMILES: CCCNC(CCOC1=CC=CC=C1)CO

Molecular Processing

Molecular formula
C13H21NO2
Molecular weight
223.32
Exact mass
223.1572
XLogP
1.82
TPSA
41.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
65.72

Supplementary Information

InChIKey: PDCVDAAAOWQBRD-UHFFFAOYSA-N
Synonyme
SCHEMBL11655739PDCVDAAAOWQBRD-UHFFFAOYSA-N2-(propylamino)-4-phenoxy-1-butanolAKOS014132592
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