1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine

C15H19ClN2S — CID 55022248

IUPAC1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
SMILESCC(N)C(c1cccs1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2S/c1-11(17)15(14-7-4-8-19-14)18(2)10-12-5-3-6-13(16)9-12/h3-9,11,15H,10,17H2,1-2H3
InChIKeyPAVKNEJFBBXZNY-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.92
Rot. Bonds5

About 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine

1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine (PubChem CID 55022248) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
PubChem CID55022248
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
SMILESCC(N)C(c1cccs1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2S/c1-11(17)15(14-7-4-8-19-14)18(2)10-12-5-3-6-13(16)9-12/h3-9,11,15H,10,17H2,1-2H3
InChIKeyPAVKNEJFBBXZNY-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021914
2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 3061996
3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62431023
1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413428
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
1-N-[(3-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61417455
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
4-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 78934700
3-[benzyl(methyl)amino]-3-thiophen-2-ylpropane-1,2-diol
CID 20656181
1-N-[(3-chlorophenyl)methyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452340
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 61416986

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine (CID 55022248) is 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine is CC(N)C(c1cccs1)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine?
The InChIKey is PAVKNEJFBBXZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11(17)15(14-7-4-8-19-14)18(2)10-12-5-3-6-13(16)9-12/h3-9,11,15H,10,17H2,1-2H3.
What are the key properties of 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine?
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine has a molecular weight of 294.85 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55022248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).