2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine

C15H19NS — CID 79417369

IUPAC2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
SMILESCc1cccc(C(CN)CCc2ccsc2)c1
InChIInChI=1S/C15H19NS/c1-12-3-2-4-14(9-12)15(10-16)6-5-13-7-8-17-11-13/h2-4,7-9,11,15H,5-6,10,16H2,1H3
InChIKeyVZOOQSBEWFSNDX-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.73
Rot. Bonds5

About 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine

2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine (PubChem CID 79417369) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
PubChem CID79417369
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
SMILESCc1cccc(C(CN)CCc2ccsc2)c1
InChIInChI=1S/C15H19NS/c1-12-3-2-4-14(9-12)15(10-16)6-5-13-7-8-17-11-13/h2-4,7-9,11,15H,5-6,10,16H2,1H3
InChIKeyVZOOQSBEWFSNDX-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-(2-methylpropyl)-4-thiophen-3-ylbutan-1-amine
CID 79431817
2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79442182
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
CID 79443461
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
CID 79416933
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
CID 105097903
[1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-yl]hydrazine
CID 105306880
3-(3-methylphenyl)pentan-1-amine
CID 82074944
3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139185

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine?
The IUPAC name of 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine (CID 79417369) is 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine?
The canonical SMILES for 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine is Cc1cccc(C(CN)CCc2ccsc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine?
The InChIKey is VZOOQSBEWFSNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-3-2-4-14(9-12)15(10-16)6-5-13-7-8-17-11-13/h2-4,7-9,11,15H,5-6,10,16H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine?
2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine is sourced from PubChem (CID 79417369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).