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

C18H25NS — CID 62515381

IUPAC2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNCC(Cc1ccc(C)cc1)Cc1cccs1
InChIInChI=1S/C18H25NS/c1-3-10-19-14-17(13-18-5-4-11-20-18)12-16-8-6-15(2)7-9-16/h4-9,11,17,19H,3,10,12-14H2,1-2H3
InChIKeyJHTZFUONVANYAD-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.46
Rot. Bonds8

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

2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 62515381) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID62515381
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNCC(Cc1ccc(C)cc1)Cc1cccs1
InChIInChI=1S/C18H25NS/c1-3-10-19-14-17(13-18-5-4-11-20-18)12-16-8-6-15(2)7-9-16/h4-9,11,17,19H,3,10,12-14H2,1-2H3
InChIKeyJHTZFUONVANYAD-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.46
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-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62718053
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
4-ethylsulfonyl-2-[(4-methylphenyl)methyl]-N-propylbutan-1-amine
CID 62515732
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 62514535
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 62515381) is 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNCC(Cc1ccc(C)cc1)Cc1cccs1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is JHTZFUONVANYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-10-19-14-17(13-18-5-4-11-20-18)12-16-8-6-15(2)7-9-16/h4-9,11,17,19H,3,10,12-14H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine?
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62515381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).