(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine

C16H18Cl2N2 — CID 166838557

IUPAC(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(c1cccc(Cl)c1)[C@H](NC)c1cccc(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-19-15(11-5-3-7-13(17)9-11)16(20-2)12-6-4-8-14(18)10-12/h3-10,15-16,19-20H,1-2H3/t15-,16?/m1/s1
InChIKeyYQCWLPBCKFSOHE-AAFJCEBUSA-N
MW309.24 g/mol
LogP4.21
Rot. Bonds5

About (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine

(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 166838557) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID166838557
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(c1cccc(Cl)c1)[C@H](NC)c1cccc(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-19-15(11-5-3-7-13(17)9-11)16(20-2)12-6-4-8-14(18)10-12/h3-10,15-16,19-20H,1-2H3/t15-,16?/m1/s1
InChIKeyYQCWLPBCKFSOHE-AAFJCEBUSA-N
XLogP4.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine (CID 166838557) is (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine is CNC(c1cccc(Cl)c1)[C@H](NC)c1cccc(Cl)c1.
What is the InChIKey of (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is YQCWLPBCKFSOHE-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-19-15(11-5-3-7-13(17)9-11)16(20-2)12-6-4-8-14(18)10-12/h3-10,15-16,19-20H,1-2H3/t15-,16?/m1/s1.
What are the key properties of (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine?
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 309.24 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 166838557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).