2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol

C15H16ClNO2 — CID 61268747

IUPAC2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCc2ccccc2Cl)c(O)c1
InChIInChI=1S/C15H16ClNO2/c1-19-13-7-6-12(15(18)8-13)10-17-9-11-4-2-3-5-14(11)16/h2-8,17-18H,9-10H2,1H3
InChIKeyVVSCZRMGNXADSO-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.34
Rot. Bonds5

About 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol

2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol (PubChem CID 61268747) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
PubChem CID61268747
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCc2ccccc2Cl)c(O)c1
InChIInChI=1S/C15H16ClNO2/c1-19-13-7-6-12(15(18)8-13)10-17-9-11-4-2-3-5-14(11)16/h2-8,17-18H,9-10H2,1H3
InChIKeyVVSCZRMGNXADSO-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol 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-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol
CID 63425254
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol (CID 61268747) is 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol is COc1ccc(CNCc2ccccc2Cl)c(O)c1.
What is the InChIKey of 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol?
The InChIKey is VVSCZRMGNXADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-19-13-7-6-12(15(18)8-13)10-17-9-11-4-2-3-5-14(11)16/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol?
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol has a molecular weight of 277.75 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol is sourced from PubChem (CID 61268747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).