2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine

C18H25NS — CID 43494143

IUPAC2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)s1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H25NS/c1-5-13-19-17(16-12-11-14(2)20-16)18(3,4)15-9-7-6-8-10-15/h6-12,17,19H,5,13H2,1-4H3
InChIKeyWVENGGJABIHKOC-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.08
Rot. Bonds6

About 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine

2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 43494143) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
PubChem CID43494143
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)s1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H25NS/c1-5-13-19-17(16-12-11-14(2)20-16)18(3,4)15-9-7-6-8-10-15/h6-12,17,19H,5,13H2,1-4H3
InChIKeyWVENGGJABIHKOC-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79196780
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 43495094
2-methyl-2-phenyl-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 63084520
2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
CID 79446921
2-methyl-1-(1-methylimidazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 63975390
N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494208
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 114650522
3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 105162164

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine (CID 43494143) is 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine is CCCNC(c1ccc(C)s1)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is WVENGGJABIHKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-5-13-19-17(16-12-11-14(2)20-16)18(3,4)15-9-7-6-8-10-15/h6-12,17,19H,5,13H2,1-4H3.
What are the key properties of 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 43494143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).