1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C17H23ClN2S — CID 62643328

IUPAC1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1Cl)Cc1cccs1
InChIInChI=1S/C17H23ClN2S/c1-3-20(13-14-7-6-12-21-14)11-10-17(19-2)15-8-4-5-9-16(15)18/h4-9,12,17,19H,3,10-11,13H2,1-2H3
InChIKeyPSVVVZTXCHNNMH-UHFFFAOYSA-N
MW322.90 g/mol
LogP4.57
Rot. Bonds8

About 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62643328) has the molecular formula C17H23ClN2S and a molecular weight of 322.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62643328
Molecular FormulaC17H23ClN2S
Molecular Weight322.90 g/mol
Exact Mass322.13
IUPAC Name1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1Cl)Cc1cccs1
InChIInChI=1S/C17H23ClN2S/c1-3-20(13-14-7-6-12-21-14)11-10-17(19-2)15-8-4-5-9-16(15)18/h4-9,12,17,19H,3,10-11,13H2,1-2H3
InChIKeyPSVVVZTXCHNNMH-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.90
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623245
1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994
1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62644997
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62643328) is 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CCN(CCC(NC)c1ccccc1Cl)Cc1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is PSVVVZTXCHNNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2S/c1-3-20(13-14-7-6-12-21-14)11-10-17(19-2)15-8-4-5-9-16(15)18/h4-9,12,17,19H,3,10-11,13H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 322.90 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62643328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).