1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine

C13H19ClFN — CID 63890430

IUPAC1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFN/c1-13(2,3)8-11(16)6-9-4-5-10(15)7-12(9)14/h4-5,7,11H,6,8,16H2,1-3H3
InChIKeyKYBPHEQAGIZUKZ-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine

1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine (PubChem CID 63890430) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
PubChem CID63890430
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H19ClFN/c1-13(2,3)8-11(16)6-9-4-5-10(15)7-12(9)14/h4-5,7,11H,6,8,16H2,1-3H3
InChIKeyKYBPHEQAGIZUKZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-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

1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
CID 62603337
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
1-tert-butylsulfanyl-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 65132928
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine (CID 63890430) is 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine is CC(C)(C)CC(N)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is KYBPHEQAGIZUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-13(2,3)8-11(16)6-9-4-5-10(15)7-12(9)14/h4-5,7,11H,6,8,16H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine?
1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 243.75 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 63890430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).