(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine

C15H16Cl2N2 — CID 67126047

IUPAC(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine
SMILESCN[C@H](c1ccc(Cl)cc1)[C@@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N2/c1-19-15(11-4-8-13(17)9-5-11)14(18)10-2-6-12(16)7-3-10/h2-9,14-15,19H,18H2,1H3/t14-,15+/m0/s1
InChIKeyHHCMXXSDBKXUBS-LSDHHAIUSA-N
MW295.21 g/mol
LogP3.95
Rot. Bonds4

About (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine

(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 67126047) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine
PubChem CID67126047
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine
SMILESCN[C@H](c1ccc(Cl)cc1)[C@@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N2/c1-19-15(11-4-8-13(17)9-5-11)14(18)10-2-6-12(16)7-3-10/h2-9,14-15,19H,18H2,1H3/t14-,15+/m0/s1
InChIKeyHHCMXXSDBKXUBS-LSDHHAIUSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine (CID 67126047) is (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine is CN[C@H](c1ccc(Cl)cc1)[C@@H](N)c1ccc(Cl)cc1.
What is the InChIKey of (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is HHCMXXSDBKXUBS-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-19-15(11-4-8-13(17)9-5-11)14(18)10-2-6-12(16)7-3-10/h2-9,14-15,19H,18H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine?
(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 295.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 67126047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).