2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol

C15H16ClNO — CID 63323116

IUPAC2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCc2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-6-7-15(18)13(8-11)10-17-9-12-4-2-3-5-14(12)16/h2-8,17-18H,9-10H2,1H3
InChIKeyPMMVCURWGBBEJD-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.64
Rot. Bonds4

About 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol

2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol (PubChem CID 63323116) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
PubChem CID63323116
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCc2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-6-7-15(18)13(8-11)10-17-9-12-4-2-3-5-14(12)16/h2-8,17-18H,9-10H2,1H3
InChIKeyPMMVCURWGBBEJD-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol 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-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111448950
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
CID 63983272
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
4-methyl-2-[(3-phenoxypropylamino)methyl]phenol
CID 63325396
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
CID 63323686
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol
CID 63324952
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol (CID 63323116) is 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol is Cc1ccc(O)c(CNCc2ccccc2Cl)c1.
What is the InChIKey of 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol?
The InChIKey is PMMVCURWGBBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-6-7-15(18)13(8-11)10-17-9-12-4-2-3-5-14(12)16/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol?
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol has a molecular weight of 261.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol is sourced from PubChem (CID 63323116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).