3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine

C14H20FNO — CID 82769169

IUPAC3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
SMILESCCC1CCC(N)(c2cc(F)ccc2OC)C1
InChIInChI=1S/C14H20FNO/c1-3-10-6-7-14(16,9-10)12-8-11(15)4-5-13(12)17-2/h4-5,8,10H,3,6-7,9,16H2,1-2H3
InChIKeyHPVDKRLZOCKBTK-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.20
Rot. Bonds3

About 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine

3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine (PubChem CID 82769169) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
PubChem CID82769169
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
SMILESCCC1CCC(N)(c2cc(F)ccc2OC)C1
InChIInChI=1S/C14H20FNO/c1-3-10-6-7-14(16,9-10)12-8-11(15)4-5-13(12)17-2/h4-5,8,10H,3,6-7,9,16H2,1-2H3
InChIKeyHPVDKRLZOCKBTK-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine (CID 82769169) is 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine is CCC1CCC(N)(c2cc(F)ccc2OC)C1.
What is the InChIKey of 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is HPVDKRLZOCKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-10-6-7-14(16,9-10)12-8-11(15)4-5-13(12)17-2/h4-5,8,10H,3,6-7,9,16H2,1-2H3.
What are the key properties of 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine?
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 82769169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).