[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine

C15H21ClFN — CID 107898531

IUPAC[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-2-11-5-6-15(8-11,10-18)9-12-3-4-13(16)14(17)7-12/h3-4,7,11H,2,5-6,8-10,18H2,1H3
InChIKeyFBTGJCHOFUBGPR-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds4

About [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine

[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine (PubChem CID 107898531) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
PubChem CID107898531
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-2-11-5-6-15(8-11,10-18)9-12-3-4-13(16)14(17)7-12/h3-4,7,11H,2,5-6,8-10,18H2,1H3
InChIKeyFBTGJCHOFUBGPR-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

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 102621042
[3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65409026
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methanamine
CID 107897457
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
CID 79137517
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053
[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine
CID 83182822
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 107889008
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine?
The IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine (CID 107898531) is [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine.
What is the SMILES notation for [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine?
The canonical SMILES for [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine is CCC1CCC(CN)(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine?
The InChIKey is FBTGJCHOFUBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-11-5-6-15(8-11,10-18)9-12-3-4-13(16)14(17)7-12/h3-4,7,11H,2,5-6,8-10,18H2,1H3.
What are the key properties of [1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine?
[1-[(4-chloro-3-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-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine is sourced from PubChem (CID 107898531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).