1-(4-fluorophenyl)pentan-1-amine

C11H16FN — CID 18507876

IUPAC1-(4-fluorophenyl)pentan-1-amine
SMILESCCCCC(N)c1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,11H,2-4,13H2,1H3
InChIKeyHCJGKNUUHOOUJS-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-fluorophenyl)pentan-1-amine

1-(4-fluorophenyl)pentan-1-amine (PubChem CID 18507876) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)pentan-1-amine
PubChem CID18507876
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(4-fluorophenyl)pentan-1-amine
SMILESCCCCC(N)c1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,11H,2-4,13H2,1H3
InChIKeyHCJGKNUUHOOUJS-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pentan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)pentan-1-amine (CID 18507876) is 1-(4-fluorophenyl)pentan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)pentan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)pentan-1-amine is CCCCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)pentan-1-amine?
The InChIKey is HCJGKNUUHOOUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,11H,2-4,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)pentan-1-amine?
1-(4-fluorophenyl)pentan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pentan-1-amine is sourced from PubChem (CID 18507876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).