1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine

C13H19F2N — CID 63084219

IUPAC1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2N/c1-4-9(2)7-13(16-3)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyHFFQUQZWAHNXMM-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.66
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine

1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine (PubChem CID 63084219) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
PubChem CID63084219
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2N/c1-4-9(2)7-13(16-3)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyHFFQUQZWAHNXMM-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-difluorophenyl)-N,3-dimethylpentan-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

1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845233
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine (CID 63084219) is 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is HFFQUQZWAHNXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-9(2)7-13(16-3)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,4,7H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine?
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 63084219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).