2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine

C17H17ClFN — CID 103043186

IUPAC2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H17ClFN/c18-15-8-11(6-7-16(15)19)9-17(20)14-10-13(14)12-4-2-1-3-5-12/h1-8,13-14,17H,9-10,20H2
InChIKeyJQMHDQRSBDQELN-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.15
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine

2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine (PubChem CID 103043186) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine
PubChem CID103043186
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H17ClFN/c18-15-8-11(6-7-16(15)19)9-17(20)14-10-13(14)12-4-2-1-3-5-12/h1-8,13-14,17H,9-10,20H2
InChIKeyJQMHDQRSBDQELN-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)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

N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
[2-(3,4-difluorophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105330409
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103040066
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 103038667
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-[3-chloro-2-(2-phenylcyclopropyl)propyl]-4-fluorobenzene
CID 116518498

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine (CID 103043186) is 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine is NC(Cc1ccc(F)c(Cl)c1)C1CC1c1ccccc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine?
The InChIKey is JQMHDQRSBDQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c18-15-8-11(6-7-16(15)19)9-17(20)14-10-13(14)12-4-2-1-3-5-12/h1-8,13-14,17H,9-10,20H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine?
2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine has a molecular weight of 289.78 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 103043186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).