1-(2-ethyl-5-fluorophenyl)butan-1-amine

C12H18FN — CID 55268868

IUPAC1-(2-ethyl-5-fluorophenyl)butan-1-amine
SMILESCCCC(N)c1cc(F)ccc1CC
InChIInChI=1S/C12H18FN/c1-3-5-12(14)11-8-10(13)7-6-9(11)4-2/h6-8,12H,3-5,14H2,1-2H3
InChIKeyWBGCSJQBAPVSEP-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.19
Rot. Bonds4

About 1-(2-ethyl-5-fluorophenyl)butan-1-amine

1-(2-ethyl-5-fluorophenyl)butan-1-amine (PubChem CID 55268868) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(2-ethyl-5-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-fluorophenyl)butan-1-amine
PubChem CID55268868
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(2-ethyl-5-fluorophenyl)butan-1-amine
SMILESCCCC(N)c1cc(F)ccc1CC
InChIInChI=1S/C12H18FN/c1-3-5-12(14)11-8-10(13)7-6-9(11)4-2/h6-8,12H,3-5,14H2,1-2H3
InChIKeyWBGCSJQBAPVSEP-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethyl-5-fluorophenyl)butan-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

2-[(1S)-1-aminobutyl]-4-fluoroaniline
CID 130859699
(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
CID 130619359
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637
1-(2-ethyl-5-fluorophenyl)-2-methoxyethanamine
CID 55273260
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281
(3S)-3-amino-3-(2-ethyl-5-fluorophenyl)propanenitrile
CID 130658086
1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79016521
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171228674

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-fluorophenyl)butan-1-amine?
The IUPAC name of 1-(2-ethyl-5-fluorophenyl)butan-1-amine (CID 55268868) is 1-(2-ethyl-5-fluorophenyl)butan-1-amine.
What is the SMILES notation for 1-(2-ethyl-5-fluorophenyl)butan-1-amine?
The canonical SMILES for 1-(2-ethyl-5-fluorophenyl)butan-1-amine is CCCC(N)c1cc(F)ccc1CC.
What is the InChIKey of 1-(2-ethyl-5-fluorophenyl)butan-1-amine?
The InChIKey is WBGCSJQBAPVSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-3-5-12(14)11-8-10(13)7-6-9(11)4-2/h6-8,12H,3-5,14H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-fluorophenyl)butan-1-amine?
1-(2-ethyl-5-fluorophenyl)butan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-fluorophenyl)butan-1-amine is sourced from PubChem (CID 55268868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).