N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C14H21ClN2 — CID 63866520

IUPACN-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCC1CC1CN(C)CCNc1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-11-9-12(11)10-17(2)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyNDANGIUJTKPISW-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.34
Rot. Bonds6

About N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 63866520) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID63866520
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCC1CC1CN(C)CCNc1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-11-9-12(11)10-17(2)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyNDANGIUJTKPISW-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine
CID 63865981
N-(2-chlorophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503615
N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556464
N-(2-chlorophenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754729
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
CID 55195116
2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191788
1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089751
N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63504287
N-(2-chlorophenyl)-N',N'-dioctylpropane-1,3-diamine
CID 175592043
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63866126
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
CID 55258829

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 63866520) is N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is CC1CC1CN(C)CCNc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is NDANGIUJTKPISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-9-12(11)10-17(2)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63866520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).