2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine

C11H15ClFN — CID 170008911

IUPAC2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-8(7-14(2)3)9-4-10(12)6-11(13)5-9/h4-6,8H,7H2,1-3H3
InChIKeyXTJNSTLXJDSRAT-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.14
Rot. Bonds3

About 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine

2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170008911) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine
PubChem CID170008911
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-8(7-14(2)3)9-4-10(12)6-11(13)5-9/h4-6,8H,7H2,1-3H3
InChIKeyXTJNSTLXJDSRAT-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine (CID 170008911) is 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine is CC(CN(C)C)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is XTJNSTLXJDSRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-8(7-14(2)3)9-4-10(12)6-11(13)5-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine?
2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170008911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).