2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol

C16H18ClNO2 — CID 111448950

IUPAC2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-11-6-7-15(19)12(8-11)9-18-10-16(20)13-4-2-3-5-14(13)17/h2-8,16,18-20H,9-10H2,1H3
InChIKeyUKXOPGWJBXZWBG-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.18
Rot. Bonds5

About 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol

2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol (PubChem CID 111448950) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
PubChem CID111448950
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-11-6-7-15(19)12(8-11)9-18-10-16(20)13-4-2-3-5-14(13)17/h2-8,16,18-20H,9-10H2,1H3
InChIKeyUKXOPGWJBXZWBG-UHFFFAOYSA-N
XLogP3.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]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-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-nitrophenol
CID 111448946
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111449320
1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315005
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]-4-methylphenol
CID 103685227
2-[(2-hydroxypentylamino)methyl]-4-methylphenol
CID 111122866
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
2-[(2,2-diethoxyethylamino)methyl]-4-methylphenol
CID 78960001
1-(2-chlorophenyl)-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]ethanol
CID 111467156
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol (CID 111448950) is 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol is Cc1ccc(O)c(CNCC(O)c2ccccc2Cl)c1.
What is the InChIKey of 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol?
The InChIKey is UKXOPGWJBXZWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-6-7-15(19)12(8-11)9-18-10-16(20)13-4-2-3-5-14(13)17/h2-8,16,18-20H,9-10H2,1H3.
What are the key properties of 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol?
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol has a molecular weight of 291.78 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol is sourced from PubChem (CID 111448950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).