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

C18H22Cl2N2 — CID 10472232

IUPACN,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H22Cl2N2/c1-21(13-15-3-7-17(19)8-4-15)11-12-22(2)14-16-5-9-18(20)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyZSJYJSAUUYVEED-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.56
Rot. Bonds7

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

N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 10472232) has the molecular formula C18H22Cl2N2 and a molecular weight of 337.29 g/mol. Its IUPAC name is N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID10472232
Molecular FormulaC18H22Cl2N2
Molecular Weight337.29 g/mol
Exact Mass336.12
IUPAC NameN,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H22Cl2N2/c1-21(13-15-3-7-17(19)8-4-15)11-12-22(2)14-16-5-9-18(20)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyZSJYJSAUUYVEED-UHFFFAOYSA-N
XLogP4.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088980
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
3-[(4-chlorophenyl)methyl-methylamino]-2,2-dimethylpropanal
CID 62278141

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 10472232) is N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is ZSJYJSAUUYVEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2/c1-21(13-15-3-7-17(19)8-4-15)11-12-22(2)14-16-5-9-18(20)10-6-16/h3-10H,11-14H2,1-2H3.
What are the key properties of N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 337.29 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10472232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).