2-[(2-chloro-6-methylphenyl)methylamino]ethanol

C10H14ClNO — CID 54352748

IUPAC2-[(2-chloro-6-methylphenyl)methylamino]ethanol
SMILESCc1cccc(Cl)c1CNCCO
InChIInChI=1S/C10H14ClNO/c1-8-3-2-4-10(11)9(8)7-12-5-6-13/h2-4,12-13H,5-7H2,1H3
InChIKeyUGXMRAQHHKPARW-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.73
Rot. Bonds4

About 2-[(2-chloro-6-methylphenyl)methylamino]ethanol

2-[(2-chloro-6-methylphenyl)methylamino]ethanol (PubChem CID 54352748) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-6-methylphenyl)methylamino]ethanol
PubChem CID54352748
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-[(2-chloro-6-methylphenyl)methylamino]ethanol
SMILESCc1cccc(Cl)c1CNCCO
InChIInChI=1S/C10H14ClNO/c1-8-3-2-4-10(11)9(8)7-12-5-6-13/h2-4,12-13H,5-7H2,1H3
InChIKeyUGXMRAQHHKPARW-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-chloro-6-methylphenyl)methylamino]ethanol 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-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294838
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
2-(2-hydroxyethylamino)ethanol;1,2-xylene
CID 174810256
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104
3-methyl-2-(propylaminomethyl)phenol
CID 142457021
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
CID 94682382
N-[(2,6-dichlorophenyl)methyl]-2-[2-[(2,6-dichlorophenyl)methylamino]ethyldisulfanyl]ethanamine;hydrochloride
CID 15574751
N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 28651326
3-chloro-2-[(3,3-dimethylbutylamino)methyl]phenol
CID 115625573

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylphenyl)methylamino]ethanol?
The IUPAC name of 2-[(2-chloro-6-methylphenyl)methylamino]ethanol (CID 54352748) is 2-[(2-chloro-6-methylphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-6-methylphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-6-methylphenyl)methylamino]ethanol is Cc1cccc(Cl)c1CNCCO.
What is the InChIKey of 2-[(2-chloro-6-methylphenyl)methylamino]ethanol?
The InChIKey is UGXMRAQHHKPARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-8-3-2-4-10(11)9(8)7-12-5-6-13/h2-4,12-13H,5-7H2,1H3.
What are the key properties of 2-[(2-chloro-6-methylphenyl)methylamino]ethanol?
2-[(2-chloro-6-methylphenyl)methylamino]ethanol has a molecular weight of 199.68 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylphenyl)methylamino]ethanol is sourced from PubChem (CID 54352748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).