1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine

C11H15ClFN — CID 82649708

IUPAC1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-11(2,14-3)7-8-4-5-10(13)9(12)6-8/h4-6,14H,7H2,1-3H3
InChIKeyXSHMERKKPSCXFC-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.02
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine

1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine (PubChem CID 82649708) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
PubChem CID82649708
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-11(2,14-3)7-8-4-5-10(13)9(12)6-8/h4-6,14H,7H2,1-3H3
InChIKeyXSHMERKKPSCXFC-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-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-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine
CID 83745032
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 75355894
2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131945
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 103039245
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
3-(3-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 103041034
N-tert-butyl-4-(3-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 103042326
2-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutanenitrile
CID 103041867
N-tert-butyl-2-[(3-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 103041062
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094
3-N-[2-(3-chloro-4-fluorophenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134949

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine (CID 82649708) is 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine is CNC(C)(C)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine?
The InChIKey is XSHMERKKPSCXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(2,14-3)7-8-4-5-10(13)9(12)6-8/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine?
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 82649708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).