1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine

C23H25Cl2N3 — CID 156563730

IUPAC1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine
SMILESCN(C)CCCc1ccc(Nc2ccccc2Cl)c(Nc2ccccc2Cl)c1
InChIInChI=1S/C23H25Cl2N3/c1-28(2)15-7-8-17-13-14-22(26-20-11-5-3-9-18(20)24)23(16-17)27-21-12-6-4-10-19(21)25/h3-6,9-14,16,26-27H,7-8,15H2,1-2H3
InChIKeyLOUBZWUYDIIMOJ-UHFFFAOYSA-N
MW414.38 g/mol
LogP6.97
Rot. Bonds8

About 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine

1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine (PubChem CID 156563730) has the molecular formula C23H25Cl2N3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine
PubChem CID156563730
Molecular FormulaC23H25Cl2N3
Molecular Weight414.38 g/mol
Exact Mass413.14
IUPAC Name1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine
SMILESCN(C)CCCc1ccc(Nc2ccccc2Cl)c(Nc2ccccc2Cl)c1
InChIInChI=1S/C23H25Cl2N3/c1-28(2)15-7-8-17-13-14-22(26-20-11-5-3-9-18(20)24)23(16-17)27-21-12-6-4-10-19(21)25/h3-6,9-14,16,26-27H,7-8,15H2,1-2H3
InChIKeyLOUBZWUYDIIMOJ-UHFFFAOYSA-N
XLogP6.97
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine (CID 156563730) is 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine is CN(C)CCCc1ccc(Nc2ccccc2Cl)c(Nc2ccccc2Cl)c1.
What is the InChIKey of 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine?
The InChIKey is LOUBZWUYDIIMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3/c1-28(2)15-7-8-17-13-14-22(26-20-11-5-3-9-18(20)24)23(16-17)27-21-12-6-4-10-19(21)25/h3-6,9-14,16,26-27H,7-8,15H2,1-2H3.
What are the key properties of 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine?
1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine has a molecular weight of 414.38 g/mol, XLogP of 6.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2-chlorophenyl)-4-[3-(dimethylamino)propyl]benzene-1,2-diamine is sourced from PubChem (CID 156563730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).