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

C18H25NS — CID 105162164

IUPAC3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc(C)c1)c1ccc(C)s1
InChIInChI=1S/C18H25NS/c1-4-12-19-17(18-11-8-15(3)20-18)10-9-16-7-5-6-14(2)13-16/h5-8,11,13,17,19H,4,9-10,12H2,1-3H3
InChIKeyLIOWQMFVZTVMFY-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.04
Rot. Bonds7

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

3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine (PubChem CID 105162164) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
PubChem CID105162164
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc(C)c1)c1ccc(C)s1
InChIInChI=1S/C18H25NS/c1-4-12-19-17(18-11-8-15(3)20-18)10-9-16-7-5-6-14(2)13-16/h5-8,11,13,17,19H,4,9-10,12H2,1-3H3
InChIKeyLIOWQMFVZTVMFY-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173533
N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62314433
1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine
CID 104987443
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
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-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 65278683
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
1-(4,5-dibromothiophen-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115793519

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine (CID 105162164) is 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1cccc(C)c1)c1ccc(C)s1.
What is the InChIKey of 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The InChIKey is LIOWQMFVZTVMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-12-19-17(18-11-8-15(3)20-18)10-9-16-7-5-6-14(2)13-16/h5-8,11,13,17,19H,4,9-10,12H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine?
3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105162164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).