2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol

C16H17ClFNO2 — CID 81134929

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H17ClFNO2/c1-21-13-4-2-3-12(8-13)16(20)10-19-9-11-5-6-15(18)14(17)7-11/h2-8,16,19-20H,9-10H2,1H3
InChIKeyAUNKGQDTHMXHHX-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.31
Rot. Bonds6

About 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol

2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134929) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID81134929
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H17ClFNO2/c1-21-13-4-2-3-12(8-13)16(20)10-19-9-11-5-6-15(18)14(17)7-11/h2-8,16,19-20H,9-10H2,1H3
InChIKeyAUNKGQDTHMXHHX-UHFFFAOYSA-N
XLogP3.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)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-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 62538794
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 81144109
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940
1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
CID 119128834
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 111427307
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol (CID 81134929) is 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is AUNKGQDTHMXHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-21-13-4-2-3-12(8-13)16(20)10-19-9-11-5-6-15(18)14(17)7-11/h2-8,16,19-20H,9-10H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol?
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 309.77 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).