1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine

C13H21ClN2 — CID 62979943

IUPAC1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-10(15-3)9-16(4)11(2)12-5-7-13(14)8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyVKOXOFLJCAGCLP-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.94
Rot. Bonds5

About 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine

1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 62979943) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID62979943
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-10(15-3)9-16(4)11(2)12-5-7-13(14)8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyVKOXOFLJCAGCLP-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 55149256
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313080
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013047
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294
4-(4-chlorophenyl)-N-methylpentan-2-amine
CID 64719416
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62978006
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62984575

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine (CID 62979943) is 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine is CNC(C)CN(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is VKOXOFLJCAGCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-10(15-3)9-16(4)11(2)12-5-7-13(14)8-6-12/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine?
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62979943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).