2-chloro-4-[(N-methylanilino)methyl]phenol

C14H14ClNO — CID 82974348

IUPAC2-chloro-4-[(N-methylanilino)methyl]phenol
SMILESCN(Cc1ccc(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H14ClNO/c1-16(12-5-3-2-4-6-12)10-11-7-8-14(17)13(15)9-11/h2-9,17H,10H2,1H3
InChIKeyAGCBFNRCLYSYEY-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-4-[(N-methylanilino)methyl]phenol

2-chloro-4-[(N-methylanilino)methyl]phenol (PubChem CID 82974348) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-4-[(N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(N-methylanilino)methyl]phenol
PubChem CID82974348
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-chloro-4-[(N-methylanilino)methyl]phenol
SMILESCN(Cc1ccc(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H14ClNO/c1-16(12-5-3-2-4-6-12)10-11-7-8-14(17)13(15)9-11/h2-9,17H,10H2,1H3
InChIKeyAGCBFNRCLYSYEY-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[(N-methylanilino)methyl]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

4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol
CID 83003612
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977249
4-[2-[4-hydroxy-3-[(N-methylanilino)methyl]phenyl]propan-2-yl]-2-[(N-methylanilino)methyl]phenol
CID 102263993
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(N-methylanilino)methyl]phenol?
The IUPAC name of 2-chloro-4-[(N-methylanilino)methyl]phenol (CID 82974348) is 2-chloro-4-[(N-methylanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(N-methylanilino)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(N-methylanilino)methyl]phenol is CN(Cc1ccc(O)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-chloro-4-[(N-methylanilino)methyl]phenol?
The InChIKey is AGCBFNRCLYSYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-16(12-5-3-2-4-6-12)10-11-7-8-14(17)13(15)9-11/h2-9,17H,10H2,1H3.
What are the key properties of 2-chloro-4-[(N-methylanilino)methyl]phenol?
2-chloro-4-[(N-methylanilino)methyl]phenol has a molecular weight of 247.73 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(N-methylanilino)methyl]phenol is sourced from PubChem (CID 82974348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).