2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine

C13H19ClFN — CID 62725874

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFN/c1-4-13(2,9-16-3)8-10-5-6-11(15)7-12(10)14/h5-7,16H,4,8-9H2,1-3H3
InChIKeyTVPIRQBCRLFJAL-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.66
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine

2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 62725874) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID62725874
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFN/c1-4-13(2,9-16-3)8-10-5-6-11(15)7-12(10)14/h5-7,16H,4,8-9H2,1-3H3
InChIKeyTVPIRQBCRLFJAL-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 ≤ 500243.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-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-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 66039362
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 63508129
2-[(2-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-ol
CID 66025240
1-(2-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 65146783
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63508313
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 106869525
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 115626035
2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 55196819
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64717449
1-(4-bromo-2,2-dimethylpentyl)-2-chloro-4-fluorobenzene
CID 64717266

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine (CID 62725874) is 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine is CCC(C)(CNC)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is TVPIRQBCRLFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-4-13(2,9-16-3)8-10-5-6-11(15)7-12(10)14/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine?
2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 243.75 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 2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62725874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).