1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine

C17H22ClNS — CID 63416020

IUPAC1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H22ClNS/c1-3-10-19-15(12-16-8-9-17(18)20-16)11-14-6-4-13(2)5-7-14/h4-9,15,19H,3,10-12H2,1-2H3
InChIKeyIQRMNKXSJAJVSI-UHFFFAOYSA-N
MW307.89 g/mol
LogP4.86
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine

1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine (PubChem CID 63416020) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
PubChem CID63416020
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H22ClNS/c1-3-10-19-15(12-16-8-9-17(18)20-16)11-14-6-4-13(2)5-7-14/h4-9,15,19H,3,10-12H2,1-2H3
InChIKeyIQRMNKXSJAJVSI-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502
3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436514
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 115841861

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine (CID 63416020) is 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(C)cc1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine?
The InChIKey is IQRMNKXSJAJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-3-10-19-15(12-16-8-9-17(18)20-16)11-14-6-4-13(2)5-7-14/h4-9,15,19H,3,10-12H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine?
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine has a molecular weight of 307.89 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 63416020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).