4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine

C14H22FN — CID 64666671

IUPAC4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)CCc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-3-9-16-11-12(2)7-8-13-5-4-6-14(15)10-13/h4-6,10,12,16H,3,7-9,11H2,1-2H3
InChIKeyUSMNIOLZLZZFNU-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.39
Rot. Bonds7

About 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine

4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine (PubChem CID 64666671) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
PubChem CID64666671
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)CCc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-3-9-16-11-12(2)7-8-13-5-4-6-14(15)10-13/h4-6,10,12,16H,3,7-9,11H2,1-2H3
InChIKeyUSMNIOLZLZZFNU-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-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

N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64664987
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine
CID 63488379
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83043127
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine (CID 64666671) is 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine is CCCNCC(C)CCc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is USMNIOLZLZZFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-3-9-16-11-12(2)7-8-13-5-4-6-14(15)10-13/h4-6,10,12,16H,3,7-9,11H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine?
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 64666671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).