3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine

C16H18Cl2N2 — CID 14842830

IUPAC3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)10-9-15(12-3-5-13(17)6-4-12)16-8-7-14(18)11-19-16/h3-8,11,15H,9-10H2,1-2H3
InChIKeyWSNDRKOLHPSTJY-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.47
Rot. Bonds5

About 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine

3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine (PubChem CID 14842830) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine
PubChem CID14842830
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)10-9-15(12-3-5-13(17)6-4-12)16-8-7-14(18)11-19-16/h3-8,11,15H,9-10H2,1-2H3
InChIKeyWSNDRKOLHPSTJY-UHFFFAOYSA-N
XLogP4.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine (CID 14842830) is 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine is CN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine?
The InChIKey is WSNDRKOLHPSTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-20(2)10-9-15(12-3-5-13(17)6-4-12)16-8-7-14(18)11-19-16/h3-8,11,15H,9-10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine?
3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine has a molecular weight of 309.24 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(5-chloro-2-pyridinyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 14842830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).