[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol

C16H18ClNO2 — CID 111466497

IUPAC[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
SMILESCOc1ccc(CNCc2ccccc2CO)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-20-16-7-6-12(8-15(16)17)9-18-10-13-4-2-3-5-14(13)11-19/h2-8,18-19H,9-11H2,1H3
InChIKeyTYEDPPGHPTYZJX-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.13
Rot. Bonds6

About [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol

[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol (PubChem CID 111466497) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
PubChem CID111466497
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
SMILESCOc1ccc(CNCc2ccccc2CO)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-20-16-7-6-12(8-15(16)17)9-18-10-13-4-2-3-5-14(13)11-19/h2-8,18-19H,9-11H2,1H3
InChIKeyTYEDPPGHPTYZJX-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol 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

2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 111467324
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
5-[[[2-(hydroxymethyl)phenyl]methylamino]methyl]-2-methoxybenzonitrile
CID 111466492
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941
[2-[[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 110906112
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
1-(3-chloro-4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 65021379
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744348
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398

Frequently Asked Questions

What is the IUPAC name of [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol (CID 111466497) is [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol is COc1ccc(CNCc2ccccc2CO)cc1Cl.
What is the InChIKey of [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is TYEDPPGHPTYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-20-16-7-6-12(8-15(16)17)9-18-10-13-4-2-3-5-14(13)11-19/h2-8,18-19H,9-11H2,1H3.
What are the key properties of [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol?
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 291.78 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 111466497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).