N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine

C13H18Cl2N2 — CID 55002903

IUPACN-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-17(7-6-16-12-4-5-12)9-10-2-3-11(14)8-13(10)15/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyGEEXYEULRPZPKH-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.18
Rot. Bonds6

About N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 55002903) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID55002903
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-17(7-6-16-12-4-5-12)9-10-2-3-11(14)8-13(10)15/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyGEEXYEULRPZPKH-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 65317346
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176
N'-[(2-bromo-4-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 107987676
N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62195867
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 55002903) is N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCNC1CC1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is GEEXYEULRPZPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-17(7-6-16-12-4-5-12)9-10-2-3-11(14)8-13(10)15/h2-3,8,12,16H,4-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 273.21 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55002903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).