N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine

C13H20FN — CID 60818536

IUPACN-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
SMILESCCCC(NCC)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FN/c1-4-6-13(15-5-2)11-8-7-10(3)12(14)9-11/h7-9,13,15H,4-6H2,1-3H3
InChIKeyVFFAAOCGXGRNNM-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.58
Rot. Bonds5

About N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine

N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine (PubChem CID 60818536) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
PubChem CID60818536
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
SMILESCCCC(NCC)c1ccc(C)c(F)c1
InChIInChI=1S/C13H20FN/c1-4-6-13(15-5-2)11-8-7-10(3)12(14)9-11/h7-9,13,15H,4-6H2,1-3H3
InChIKeyVFFAAOCGXGRNNM-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-1-(3-fluoro-4-methylphenyl)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

3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine (CID 60818536) is N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine is CCCC(NCC)c1ccc(C)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine?
The InChIKey is VFFAAOCGXGRNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-6-13(15-5-2)11-8-7-10(3)12(14)9-11/h7-9,13,15H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine?
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine is sourced from PubChem (CID 60818536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).