4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol

C19H24ClNO3 — CID 119122214

IUPAC4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol
SMILESCOc1cc(CNC(C)CCc2ccc(O)cc2)cc(Cl)c1OC
InChIInChI=1S/C19H24ClNO3/c1-13(4-5-14-6-8-16(22)9-7-14)21-12-15-10-17(20)19(24-3)18(11-15)23-2/h6-11,13,21-22H,4-5,12H2,1-3H3
InChIKeyTUXNUDBXZDVYSU-UHFFFAOYSA-N
MW349.86 g/mol
LogP4.17
Rot. Bonds8

About 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol

4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol (PubChem CID 119122214) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol
PubChem CID119122214
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol
SMILESCOc1cc(CNC(C)CCc2ccc(O)cc2)cc(Cl)c1OC
InChIInChI=1S/C19H24ClNO3/c1-13(4-5-14-6-8-16(22)9-7-14)21-12-15-10-17(20)19(24-3)18(11-15)23-2/h6-11,13,21-22H,4-5,12H2,1-3H3
InChIKeyTUXNUDBXZDVYSU-UHFFFAOYSA-N
XLogP4.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211280
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 17211263
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
CID 119122211
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17292333
2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide
CID 119122685
(2R)-N-[[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 51995669
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211278
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17210561
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 78805239
(2R)-N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29187187
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol (CID 119122214) is 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol is COc1cc(CNC(C)CCc2ccc(O)cc2)cc(Cl)c1OC.
What is the InChIKey of 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol?
The InChIKey is TUXNUDBXZDVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-13(4-5-14-6-8-16(22)9-7-14)21-12-15-10-17(20)19(24-3)18(11-15)23-2/h6-11,13,21-22H,4-5,12H2,1-3H3.
What are the key properties of 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol?
4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol has a molecular weight of 349.86 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol is sourced from PubChem (CID 119122214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).