1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine

C15H25ClN2 — CID 62645335

IUPAC1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H25ClN2/c1-5-18(12(2)3)11-10-15(17-4)13-8-6-7-9-14(13)16/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyYNFLTVMMRJRESF-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.72
Rot. Bonds7

About 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine

1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62645335) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62645335
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H25ClN2/c1-5-18(12(2)3)11-10-15(17-4)13-8-6-7-9-14(13)16/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyYNFLTVMMRJRESF-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
CID 62644404
1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602
1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63494077
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62643328
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 114079767
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63493011

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 62645335) is 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine is CCN(CCC(NC)c1ccccc1Cl)C(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is YNFLTVMMRJRESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-18(12(2)3)11-10-15(17-4)13-8-6-7-9-14(13)16/h6-9,12,15,17H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine?
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.72, 7 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-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62645335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).