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

C17H22ClNS — CID 105173533

IUPAC1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc(C)c1)c1ccc(Cl)s1
InChIInChI=1S/C17H22ClNS/c1-3-11-19-15(16-9-10-17(18)20-16)8-7-14-6-4-5-13(2)12-14/h4-6,9-10,12,15,19H,3,7-8,11H2,1-2H3
InChIKeySABXDKZPTRIJGW-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.38
Rot. Bonds7

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

1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine (PubChem CID 105173533) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
PubChem CID105173533
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc(C)c1)c1ccc(Cl)s1
InChIInChI=1S/C17H22ClNS/c1-3-11-19-15(16-9-10-17(18)20-16)8-7-14-6-4-5-13(2)12-14/h4-6,9-10,12,15,19H,3,7-8,11H2,1-2H3
InChIKeySABXDKZPTRIJGW-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 105162164
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105173534
N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63502688
1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 106042005
1-(5-chlorothiophen-2-yl)-N-propyloct-7-en-1-amine
CID 107011929
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
1-(4,5-dibromothiophen-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115793519

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine (CID 105173533) is 1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine is CCCNC(CCc1cccc(C)c1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is SABXDKZPTRIJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-3-11-19-15(16-9-10-17(18)20-16)8-7-14-6-4-5-13(2)12-14/h4-6,9-10,12,15,19H,3,7-8,11H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 307.89 g/mol, XLogP of 5.38, 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-(3-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 105173533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).