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

C13H21ClN2 — CID 62643934

IUPAC1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCN(C)CCC(NC)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-4-16(3)10-9-13(15-2)11-7-5-6-8-12(11)14/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyXQMIZTSBUAZTRQ-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.94
Rot. Bonds6

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

1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62643934) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
PubChem CID62643934
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCN(C)CCC(NC)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-4-16(3)10-9-13(15-2)11-7-5-6-8-12(11)14/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyXQMIZTSBUAZTRQ-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

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Related Compounds

1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63494077
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62643328
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
CID 62644404
1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664674
1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 114079767

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine (CID 62643934) is 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine is CCN(C)CCC(NC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is XQMIZTSBUAZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-16(3)10-9-13(15-2)11-7-5-6-8-12(11)14/h5-8,13,15H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine?
1-(2-chlorophenyl)-N'-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 1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62643934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).