CC1=CC(=C(C=C1OC2=NC(=NC=C2)OC3=C(C(=CC=C3)Cl)C)C)N
Name: 4-[2-(3-chloro-2-methylphenoxy)pyrimidin-4-yl]oxy-2,5-dimethylaniline
SMILES: CC1=CC(=C(C=C1OC2=NC(=NC=C2)OC3=C(C(=CC=C3)Cl)C)C)N

Molecular Processing

Molecular formula
C19H18ClN3O2
Molecular weight
355.83
Exact mass
355.1088
XLogP
5.22
TPSA
70.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
98.7

Supplementary Information

InChIKey: BFORZTSXZVXEPV-UHFFFAOYSA-N
Synonyme
SCHEMBL1423805BFORZTSXZVXEPV-UHFFFAOYSA-N4-[2-(3-chloro-2-methyl-phenoxy)-pyrimidin-4-yloxy]-2,5-dimethyl-phenylamine
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