2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol

C21H21ClN2O — CID 154859092

IUPAC2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol
SMILESCc1ccccc1CN(Cc1cccnc1)Cc1cccc(O)c1Cl
InChIInChI=1S/C21H21ClN2O/c1-16-6-2-3-8-18(16)14-24(13-17-7-5-11-23-12-17)15-19-9-4-10-20(25)21(19)22/h2-12,25H,13-15H2,1H3
InChIKeyDRWDLNIUJXYDHM-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.95
Rot. Bonds6

About 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol

2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol (PubChem CID 154859092) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol
PubChem CID154859092
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol
SMILESCc1ccccc1CN(Cc1cccnc1)Cc1cccc(O)c1Cl
InChIInChI=1S/C21H21ClN2O/c1-16-6-2-3-8-18(16)14-24(13-17-7-5-11-23-12-17)15-19-9-4-10-20(25)21(19)22/h2-12,25H,13-15H2,1H3
InChIKeyDRWDLNIUJXYDHM-UHFFFAOYSA-N
XLogP4.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]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

1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 166010595
3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 76868208
2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
CID 113067370
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 55987992
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 52725239
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 95278483
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75910588
(E)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 52725212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol (CID 154859092) is 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol is Cc1ccccc1CN(Cc1cccnc1)Cc1cccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol?
The InChIKey is DRWDLNIUJXYDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-16-6-2-3-8-18(16)14-24(13-17-7-5-11-23-12-17)15-19-9-4-10-20(25)21(19)22/h2-12,25H,13-15H2,1H3.
What are the key properties of 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol?
2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol has a molecular weight of 352.87 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 154859092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).