1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine

C12H19ClN2 — CID 62985590

IUPAC1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
SMILESCC(N)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C12H19ClN2/c1-9(14)8-15(3)10(2)11-6-4-5-7-12(11)13/h4-7,9-10H,8,14H2,1-3H3
InChIKeyHQOSVMJBGUGLNW-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.68
Rot. Bonds4

About 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine

1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine (PubChem CID 62985590) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
PubChem CID62985590
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
SMILESCC(N)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C12H19ClN2/c1-9(14)8-15(3)10(2)11-6-4-5-7-12(11)13/h4-7,9-10H,8,14H2,1-3H3
InChIKeyHQOSVMJBGUGLNW-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 62980189
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 82770188
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62984016
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370719

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine (CID 62985590) is 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine is CC(N)CN(C)C(C)c1ccccc1Cl.
What is the InChIKey of 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is HQOSVMJBGUGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-9(14)8-15(3)10(2)11-6-4-5-7-12(11)13/h4-7,9-10H,8,14H2,1-3H3.
What are the key properties of 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine?
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62985590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).