3-(4-fluorophenyl)pentan-2-amine

C11H16FN — CID 66437850

IUPAC3-(4-fluorophenyl)pentan-2-amine
SMILESCCC(c1ccc(F)cc1)C(C)N
InChIInChI=1S/C11H16FN/c1-3-11(8(2)13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3
InChIKeyIGZIQVNGHOYNFW-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.67
Rot. Bonds3

About 3-(4-fluorophenyl)pentan-2-amine

3-(4-fluorophenyl)pentan-2-amine (PubChem CID 66437850) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)pentan-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)pentan-2-amine
PubChem CID66437850
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-(4-fluorophenyl)pentan-2-amine
SMILESCCC(c1ccc(F)cc1)C(C)N
InChIInChI=1S/C11H16FN/c1-3-11(8(2)13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3
InChIKeyIGZIQVNGHOYNFW-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)heptan-4-amine
CID 83047471
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
1-butan-2-yl-4-fluorobenzene
CID 11829648
4-(4-fluorophenyl)-N-methylhexan-3-amine
CID 79307068
N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine
CID 79298629
1-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
1-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1,2-diamine
CID 91565963
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
CID 79018716
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82089305
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)pentan-2-amine?
The IUPAC name of 3-(4-fluorophenyl)pentan-2-amine (CID 66437850) is 3-(4-fluorophenyl)pentan-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)pentan-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)pentan-2-amine is CCC(c1ccc(F)cc1)C(C)N.
What is the InChIKey of 3-(4-fluorophenyl)pentan-2-amine?
The InChIKey is IGZIQVNGHOYNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-11(8(2)13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)pentan-2-amine?
3-(4-fluorophenyl)pentan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)pentan-2-amine is sourced from PubChem (CID 66437850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).