3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine

C17H23NS — CID 81024674

IUPAC3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1sccc1C)c1ccccc1
InChIInChI=1S/C17H23NS/c1-3-10-18-13-16(15-7-5-4-6-8-15)12-17-14(2)9-11-19-17/h4-9,11,16,18H,3,10,12-13H2,1-2H3
InChIKeyTUUKEVPHHBNKEA-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.38
Rot. Bonds7

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

3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 81024674) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
PubChem CID81024674
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1sccc1C)c1ccccc1
InChIInChI=1S/C17H23NS/c1-3-10-18-13-16(15-7-5-4-6-8-15)12-17-14(2)9-11-19-17/h4-9,11,16,18H,3,10,12-13H2,1-2H3
InChIKeyTUUKEVPHHBNKEA-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
2-methyl-3-(3-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79995326
3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 81027985
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-phenyl-N-propylnonan-1-amine
CID 65429485
3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
CID 81028438
3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid
CID 79014830
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine
CID 81024221

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine (CID 81024674) is 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine is CCCNCC(Cc1sccc1C)c1ccccc1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is TUUKEVPHHBNKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-10-18-13-16(15-7-5-4-6-8-15)12-17-14(2)9-11-19-17/h4-9,11,16,18H,3,10,12-13H2,1-2H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine?
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 273.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 81024674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).