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

C11H16FN — CID 64719405

IUPAC4-(3-fluorophenyl)pentan-2-amine
SMILESCC(N)CC(C)c1cccc(F)c1
InChIInChI=1S/C11H16FN/c1-8(6-9(2)13)10-4-3-5-11(12)7-10/h3-5,7-9H,6,13H2,1-2H3
InChIKeyDOKPASRYMWKFFG-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.67
Rot. Bonds3

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

4-(3-fluorophenyl)pentan-2-amine (PubChem CID 64719405) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-(3-fluorophenyl)pentan-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)pentan-2-amine
PubChem CID64719405
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-(3-fluorophenyl)pentan-2-amine
SMILESCC(N)CC(C)c1cccc(F)c1
InChIInChI=1S/C11H16FN/c1-8(6-9(2)13)10-4-3-5-11(12)7-10/h3-5,7-9H,6,13H2,1-2H3
InChIKeyDOKPASRYMWKFFG-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

4-(3-methylphenyl)pentan-2-amine
CID 64719404
4-(3-bromophenyl)pentan-2-amine
CID 83912731
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
1-(3-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934242
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
CID 171160142
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
1,1-bis(3-fluorophenyl)pentan-3-amine
CID 22708360
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)pentan-2-amine?
The IUPAC name of 4-(3-fluorophenyl)pentan-2-amine (CID 64719405) is 4-(3-fluorophenyl)pentan-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)pentan-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)pentan-2-amine is CC(N)CC(C)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)pentan-2-amine?
The InChIKey is DOKPASRYMWKFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(6-9(2)13)10-4-3-5-11(12)7-10/h3-5,7-9H,6,13H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)pentan-2-amine?
4-(3-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 4-(3-fluorophenyl)pentan-2-amine is sourced from PubChem (CID 64719405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).