N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine

C13H21ClN2 — CID 62985212

IUPACN'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-11(16(3)10-6-9-15-2)12-7-4-5-8-13(12)14/h4-5,7-8,11,15H,6,9-10H2,1-3H3
InChIKeyIZYXYGBXGGGDTA-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.94
Rot. Bonds6

About N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine

N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62985212) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID62985212
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-11(16(3)10-6-9-15-2)12-7-4-5-8-13(12)14/h4-5,7-8,11,15H,6,9-10H2,1-3H3
InChIKeyIZYXYGBXGGGDTA-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62985277
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',2,2-trimethylhexane-1,6-diamine
CID 106708082
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62983621
3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline
CID 115342075
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62984222
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine (CID 62985212) is N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)C(C)c1ccccc1Cl.
What is the InChIKey of N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is IZYXYGBXGGGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-11(16(3)10-6-9-15-2)12-7-4-5-8-13(12)14/h4-5,7-8,11,15H,6,9-10H2,1-3H3.
What are the key properties of N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine?
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.94, 6 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,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62985212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).