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

C11H15ClFN — CID 103040981

IUPAC3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-8(7-14-2)5-9-3-4-11(13)10(12)6-9/h3-4,6,8,14H,5,7H2,1-2H3
InChIKeyXVLNDBKRPHAPRY-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.88
Rot. Bonds4

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

3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine (PubChem CID 103040981) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine
PubChem CID103040981
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-8(7-14-2)5-9-3-4-11(13)10(12)6-9/h3-4,6,8,14H,5,7H2,1-2H3
InChIKeyXVLNDBKRPHAPRY-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine (CID 103040981) is 3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine is CNCC(C)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is XVLNDBKRPHAPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-8(7-14-2)5-9-3-4-11(13)10(12)6-9/h3-4,6,8,14H,5,7H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine?
3-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 103040981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).