2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine

C14H12ClF2N — CID 62505457

IUPAC2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2N/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8,14H,7,18H2
InChIKeyMJDMZBODNWVIRN-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine

2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine (PubChem CID 62505457) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
PubChem CID62505457
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2N/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8,14H,7,18H2
InChIKeyMJDMZBODNWVIRN-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine 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-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine (CID 62505457) is 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine is NC(Cc1cccc(Cl)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is MJDMZBODNWVIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8,14H,7,18H2.
What are the key properties of 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine?
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 267.71 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 62505457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).