1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C15H18ClN3 — CID 82538527

IUPAC1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)C(CNc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-19(2)14(12-6-8-13(16)9-7-12)11-18-15-5-3-4-10-17-15/h3-10,14H,11H2,1-2H3,(H,17,18)
InChIKeyJPLANPFUEAEGAC-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 82538527) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID82538527
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)C(CNc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-19(2)14(12-6-8-13(16)9-7-12)11-18-15-5-3-4-10-17-15/h3-10,14H,11H2,1-2H3,(H,17,18)
InChIKeyJPLANPFUEAEGAC-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 82538527) is 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is CN(C)C(CNc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is JPLANPFUEAEGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-19(2)14(12-6-8-13(16)9-7-12)11-18-15-5-3-4-10-17-15/h3-10,14H,11H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 275.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 82538527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).