N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

C16H27ClN2 — CID 62985277

IUPACN'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)NCCN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-12(2)13(3)18-10-11-19(5)14(4)15-8-6-7-9-16(15)17/h6-9,12-14,18H,10-11H2,1-5H3
InChIKeyZPKAODSUQMTHJF-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.97
Rot. Bonds7

About N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 62985277) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID62985277
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)NCCN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-12(2)13(3)18-10-11-19(5)14(4)15-8-6-7-9-16(15)17/h6-9,12-14,18H,10-11H2,1-5H3
InChIKeyZPKAODSUQMTHJF-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62984222
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62983621
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)-N-propylpropane-1,3-diamine
CID 63493443
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62986141

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 62985277) is N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is CC(C)C(C)NCCN(C)C(C)c1ccccc1Cl.
What is the InChIKey of N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is ZPKAODSUQMTHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-12(2)13(3)18-10-11-19(5)14(4)15-8-6-7-9-16(15)17/h6-9,12-14,18H,10-11H2,1-5H3.
What are the key properties of N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62985277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).