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

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).