3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine

C16H24FN — CID 64923126

IUPAC3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2ccccc2F)C1C
InChIInChI=1S/C16H24FN/c1-4-13-9-10-16(11(13)2)18-12(3)14-7-5-6-8-15(14)17/h5-8,11-13,16,18H,4,9-10H2,1-3H3
InChIKeyXBUOMPZKJVWMLT-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.30
Rot. Bonds4

About 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine

3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine (PubChem CID 64923126) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine
PubChem CID64923126
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2ccccc2F)C1C
InChIInChI=1S/C16H24FN/c1-4-13-9-10-16(11(13)2)18-12(3)14-7-5-6-8-15(14)17/h5-8,11-13,16,18H,4,9-10H2,1-3H3
InChIKeyXBUOMPZKJVWMLT-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 82964868
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920776
3-ethyl-2-methyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64921322
cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
CID 98785215
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920557
3-ethyl-2-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64921128
3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
CID 64922146
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine (CID 64923126) is 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine is CCC1CCC(NC(C)c2ccccc2F)C1C.
What is the InChIKey of 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine?
The InChIKey is XBUOMPZKJVWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-13-9-10-16(11(13)2)18-12(3)14-7-5-6-8-15(14)17/h5-8,11-13,16,18H,4,9-10H2,1-3H3.
What are the key properties of 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine?
3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64923126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).