4-(2,3-difluoro-4-methylphenyl)butan-2-amine

C11H15F2N — CID 107514336

IUPAC4-(2,3-difluoro-4-methylphenyl)butan-2-amine
SMILESCc1ccc(CCC(C)N)c(F)c1F
InChIInChI=1S/C11H15F2N/c1-7-3-5-9(6-4-8(2)14)11(13)10(7)12/h3,5,8H,4,6,14H2,1-2H3
InChIKeyNSHRAXYZEUAQMD-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.55
Rot. Bonds3

About 4-(2,3-difluoro-4-methylphenyl)butan-2-amine

4-(2,3-difluoro-4-methylphenyl)butan-2-amine (PubChem CID 107514336) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(2,3-difluoro-4-methylphenyl)butan-2-amine
PubChem CID107514336
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name4-(2,3-difluoro-4-methylphenyl)butan-2-amine
SMILESCc1ccc(CCC(C)N)c(F)c1F
InChIInChI=1S/C11H15F2N/c1-7-3-5-9(6-4-8(2)14)11(13)10(7)12/h3,5,8H,4,6,14H2,1-2H3
InChIKeyNSHRAXYZEUAQMD-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2,3-difluoro-4-methylphenyl)butan-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

3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107514342
1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
CID 123274263
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
1-(2,3-difluoro-4-methylphenyl)hexan-3-ol
CID 107514399
4-(3-aminobutyl)-3-methylaniline
CID 130001530
(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
CID 131320571
1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-3-one
CID 107514321
3-[(3S)-3-aminobutyl]-4-methylphenol
CID 130741104
3-(3-aminobutyl)-4-methylphenol
CID 130001431
4-(2-fluoro-4-iodophenyl)butan-2-amine
CID 130053939
4-(4-fluoro-2-iodophenyl)butan-2-amine
CID 130054391

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-methylphenyl)butan-2-amine?
The IUPAC name of 4-(2,3-difluoro-4-methylphenyl)butan-2-amine (CID 107514336) is 4-(2,3-difluoro-4-methylphenyl)butan-2-amine.
What is the SMILES notation for 4-(2,3-difluoro-4-methylphenyl)butan-2-amine?
The canonical SMILES for 4-(2,3-difluoro-4-methylphenyl)butan-2-amine is Cc1ccc(CCC(C)N)c(F)c1F.
What is the InChIKey of 4-(2,3-difluoro-4-methylphenyl)butan-2-amine?
The InChIKey is NSHRAXYZEUAQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7-3-5-9(6-4-8(2)14)11(13)10(7)12/h3,5,8H,4,6,14H2,1-2H3.
What are the key properties of 4-(2,3-difluoro-4-methylphenyl)butan-2-amine?
4-(2,3-difluoro-4-methylphenyl)butan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-4-methylphenyl)butan-2-amine is sourced from PubChem (CID 107514336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).