N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine

C13H18Cl2N2 — CID 65317346

IUPACN-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-17(7-6-16-12-3-4-12)9-10-8-11(14)2-5-13(10)15/h2,5,8,12,16H,3-4,6-7,9H2,1H3
InChIKeyKMAOLMXHDFCXBA-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.18
Rot. Bonds6

About N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 65317346) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID65317346
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-17(7-6-16-12-3-4-12)9-10-8-11(14)2-5-13(10)15/h2,5,8,12,16H,3-4,6-7,9H2,1H3
InChIKeyKMAOLMXHDFCXBA-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'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
N'-[(2-bromo-4-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 107987676
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176
N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62195867
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023564
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199
N'-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
CID 62557781

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 65317346) is N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCNC1CC1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is KMAOLMXHDFCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-17(7-6-16-12-3-4-12)9-10-8-11(14)2-5-13(10)15/h2,5,8,12,16H,3-4,6-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-[(2,5-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'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 65317346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).