[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine

C15H21ClFN — CID 102621042

IUPAC[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C15H21ClFN/c1-2-11-5-6-15(8-11,10-18)9-12-7-13(17)3-4-14(12)16/h3-4,7,11H,2,5-6,8-10,18H2,1H3
InChIKeyLMHFUBKDALZXJV-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds4

About [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine

[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine (PubChem CID 102621042) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
PubChem CID102621042
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C15H21ClFN/c1-2-11-5-6-15(8-11,10-18)9-12-7-13(17)3-4-14(12)16/h3-4,7,11H,2,5-6,8-10,18H2,1H3
InChIKeyLMHFUBKDALZXJV-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine?
The IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine (CID 102621042) is [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine.
What is the SMILES notation for [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine?
The canonical SMILES for [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine is CCC1CCC(CN)(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine?
The InChIKey is LMHFUBKDALZXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-11-5-6-15(8-11,10-18)9-12-7-13(17)3-4-14(12)16/h3-4,7,11H,2,5-6,8-10,18H2,1H3.
What are the key properties of [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine?
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine has a molecular weight of 269.79 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine is sourced from PubChem (CID 102621042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).