N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine

C14H19F2N — CID 126847971

IUPACN-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCC2(F)CCCC2)cc1
InChIInChI=1S/C14H19F2N/c15-13-5-3-12(4-6-13)7-10-17-11-14(16)8-1-2-9-14/h3-6,17H,1-2,7-11H2
InChIKeyYFVUGMZMAMWWDO-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.24
Rot. Bonds5

About N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine

N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 126847971) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine
PubChem CID126847971
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCC2(F)CCCC2)cc1
InChIInChI=1S/C14H19F2N/c15-13-5-3-12(4-6-13)7-10-17-11-14(16)8-1-2-9-14/h3-6,17H,1-2,7-11H2
InChIKeyYFVUGMZMAMWWDO-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)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-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
3-[[2-(4-fluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248128
2-[4-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
CID 84727142
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304957
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine (CID 126847971) is N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine is Fc1ccc(CCNCC2(F)CCCC2)cc1.
What is the InChIKey of N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is YFVUGMZMAMWWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-13-5-3-12(4-6-13)7-10-17-11-14(16)8-1-2-9-14/h3-6,17H,1-2,7-11H2.
What are the key properties of N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine?
N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 126847971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).