2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C17H23NS — CID 79436947

IUPAC2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNCC(Cc1cccs1)c1ccc(C)cc1
InChIInChI=1S/C17H23NS/c1-3-10-18-13-16(12-17-5-4-11-19-17)15-8-6-14(2)7-9-15/h4-9,11,16,18H,3,10,12-13H2,1-2H3
InChIKeyQLXMXPOZJRJPSP-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.38
Rot. Bonds7

About 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 79436947) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID79436947
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNCC(Cc1cccs1)c1ccc(C)cc1
InChIInChI=1S/C17H23NS/c1-3-10-18-13-16(12-17-5-4-11-19-17)15-8-6-14(2)7-9-15/h4-9,11,16,18H,3,10,12-13H2,1-2H3
InChIKeyQLXMXPOZJRJPSP-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

N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381
2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79440969
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
CID 79437348
3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436514
3-(5-bromothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436176
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 79436947) is 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNCC(Cc1cccs1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is QLXMXPOZJRJPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-10-18-13-16(12-17-5-4-11-19-17)15-8-6-14(2)7-9-15/h4-9,11,16,18H,3,10,12-13H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-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 2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79436947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).