2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine

C13H19ClFN — CID 79298067

IUPAC2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFN/c1-8(2)13(16-4)9(3)10-5-6-12(15)11(14)7-10/h5-9,13,16H,1-4H3
InChIKeyJTDVMMXHFMGUDN-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.83
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine

2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine (PubChem CID 79298067) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine
PubChem CID79298067
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFN/c1-8(2)13(16-4)9(3)10-5-6-12(15)11(14)7-10/h5-9,13,16H,1-4H3
InChIKeyJTDVMMXHFMGUDN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-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-(4-chlorophenyl)-N,4-dimethylpentan-3-amine
CID 79299366
1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
4-(3-chloro-4-fluorophenyl)-3-methylpentan-2-one
CID 123846635
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 63088821
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
CID 83051112
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
1-(3-chloro-4-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 63086652

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine (CID 79298067) is 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine is CNC(C(C)C)C(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine?
The InChIKey is JTDVMMXHFMGUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-8(2)13(16-4)9(3)10-5-6-12(15)11(14)7-10/h5-9,13,16H,1-4H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine?
2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine has a molecular weight of 243.75 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine is sourced from PubChem (CID 79298067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).