3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine

C11H15ClFN — CID 62531287

IUPAC3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN/c1-8(7-14-2)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyUSQJKQVXYSQGSD-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.88
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine

3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine (PubChem CID 62531287) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
PubChem CID62531287
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN/c1-8(7-14-2)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyUSQJKQVXYSQGSD-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-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

3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
CID 62529664
2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62514397
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
4-(2-chloro-6-fluorophenyl)-3-methylbutanethioamide
CID 83925258
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine (CID 62531287) is 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine is CNCC(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is USQJKQVXYSQGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-8(7-14-2)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine?
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62531287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).