2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C17H23NS — CID 79416940

IUPAC2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNCC(Cc1cccs1)c1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-3-9-18-13-16(12-17-8-5-10-19-17)15-7-4-6-14(2)11-15/h4-8,10-11,16,18H,3,9,12-13H2,1-2H3
InChIKeyKEYFOVHFUZGMED-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.38
Rot. Bonds7

About 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 79416940) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID79416940
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNCC(Cc1cccs1)c1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-3-9-18-13-16(12-17-8-5-10-19-17)15-7-4-6-14(2)11-15/h4-8,10-11,16,18H,3,9,12-13H2,1-2H3
InChIKeyKEYFOVHFUZGMED-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 ≤ 500273.44
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

2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79440969
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
5,5-dimethyl-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 79416848
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
4-ethylsulfonyl-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 79417569
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43783062
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 79416940) is 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNCC(Cc1cccs1)c1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is KEYFOVHFUZGMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-9-18-13-16(12-17-8-5-10-19-17)15-7-4-6-14(2)11-15/h4-8,10-11,16,18H,3,9,12-13H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 273.44 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 2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79416940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).