3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine

C14H20FN — CID 64516010

IUPAC3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-2-11-7-8-14(16,9-11)10-12-3-5-13(15)6-4-12/h3-6,11H,2,7-10,16H2,1H3
InChIKeyZHLFGUAJNUIJCR-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.28
Rot. Bonds3

About 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine

3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine (PubChem CID 64516010) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
PubChem CID64516010
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-2-11-7-8-14(16,9-11)10-12-3-5-13(15)6-4-12/h3-6,11H,2,7-10,16H2,1H3
InChIKeyZHLFGUAJNUIJCR-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine (CID 64516010) is 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine is CCC1CCC(N)(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is ZHLFGUAJNUIJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-11-7-8-14(16,9-11)10-12-3-5-13(15)6-4-12/h3-6,11H,2,7-10,16H2,1H3.
What are the key properties of 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine?
3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64516010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).