1-(4-butylphenyl)-3-fluoropropan-2-amine

C13H20FN — CID 143418394

IUPAC1-(4-butylphenyl)-3-fluoropropan-2-amine
SMILESCCCCc1ccc(CC(N)CF)cc1
InChIInChI=1S/C13H20FN/c1-2-3-4-11-5-7-12(8-6-11)9-13(15)10-14/h5-8,13H,2-4,9-10,15H2,1H3
InChIKeyFOKSPRWHGDUHKK-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.87
Rot. Bonds6

About 1-(4-butylphenyl)-3-fluoropropan-2-amine

1-(4-butylphenyl)-3-fluoropropan-2-amine (PubChem CID 143418394) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-fluoropropan-2-amine
PubChem CID143418394
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(4-butylphenyl)-3-fluoropropan-2-amine
SMILESCCCCc1ccc(CC(N)CF)cc1
InChIInChI=1S/C13H20FN/c1-2-3-4-11-5-7-12(8-6-11)9-13(15)10-14/h5-8,13H,2-4,9-10,15H2,1H3
InChIKeyFOKSPRWHGDUHKK-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-butylphenyl)-3-fluoropropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
1-(4-propylphenyl)hexan-2-amine
CID 82255234
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
1-butyl-4-(2-methylbut-3-enyl)benzene
CID 83921809
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
ethyl 2-amino-3-[4-(4-butylphenyl)phenyl]propanoate
CID 170885040

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-fluoropropan-2-amine?
The IUPAC name of 1-(4-butylphenyl)-3-fluoropropan-2-amine (CID 143418394) is 1-(4-butylphenyl)-3-fluoropropan-2-amine.
What is the SMILES notation for 1-(4-butylphenyl)-3-fluoropropan-2-amine?
The canonical SMILES for 1-(4-butylphenyl)-3-fluoropropan-2-amine is CCCCc1ccc(CC(N)CF)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-fluoropropan-2-amine?
The InChIKey is FOKSPRWHGDUHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-2-3-4-11-5-7-12(8-6-11)9-13(15)10-14/h5-8,13H,2-4,9-10,15H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-fluoropropan-2-amine?
1-(4-butylphenyl)-3-fluoropropan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-fluoropropan-2-amine is sourced from PubChem (CID 143418394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).