1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine

C19H24Cl2N2 — CID 110826506

IUPAC1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24Cl2N2/c1-3-23(4-2)19(16-7-11-18(21)12-8-16)14-22-13-15-5-9-17(20)10-6-15/h5-12,19,22H,3-4,13-14H2,1-2H3
InChIKeyZJSKOTZZJYBPKV-UHFFFAOYSA-N
MW351.32 g/mol
LogP5.17
Rot. Bonds8

About 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine

1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine (PubChem CID 110826506) has the molecular formula C19H24Cl2N2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine
PubChem CID110826506
Molecular FormulaC19H24Cl2N2
Molecular Weight351.32 g/mol
Exact Mass350.13
IUPAC Name1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24Cl2N2/c1-3-23(4-2)19(16-7-11-18(21)12-8-16)14-22-13-15-5-9-17(20)10-6-15/h5-12,19,22H,3-4,13-14H2,1-2H3
InChIKeyZJSKOTZZJYBPKV-UHFFFAOYSA-N
XLogP5.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.32
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 110826249
1-(4-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827055
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
(1S)-1-(4-chlorophenyl)-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 96563278
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine
CID 110621877
2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 65026851
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 62413056
4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide
CID 51086143

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine (CID 110826506) is 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine is CCN(CC)C(CNCc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine?
The InChIKey is ZJSKOTZZJYBPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2/c1-3-23(4-2)19(16-7-11-18(21)12-8-16)14-22-13-15-5-9-17(20)10-6-15/h5-12,19,22H,3-4,13-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine?
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine has a molecular weight of 351.32 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 110826506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).