1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine

C18H25NS — CID 63454808

IUPAC1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
SMILESCCCC(NCc1c(C)cc(C)cc1C)c1cccs1
InChIInChI=1S/C18H25NS/c1-5-7-17(18-8-6-9-20-18)19-12-16-14(3)10-13(2)11-15(16)4/h6,8-11,17,19H,5,7,12H2,1-4H3
InChIKeyQLWWZTFISLTDNO-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.30
Rot. Bonds6

About 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine

1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine (PubChem CID 63454808) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
PubChem CID63454808
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
SMILESCCCC(NCc1c(C)cc(C)cc1C)c1cccs1
InChIInChI=1S/C18H25NS/c1-5-7-17(18-8-6-9-20-18)19-12-16-14(3)10-13(2)11-15(16)4/h6,8-11,17,19H,5,7,12H2,1-4H3
InChIKeyQLWWZTFISLTDNO-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 102794806
1-thiophen-2-yl-N-[(2,4,5-trifluorophenyl)methyl]butan-1-amine
CID 103792753
N-[(4-bromo-3-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 81436822
N-[(2-chloro-6-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 104815944
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 54962828
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
3-chloro-4-[(1-thiophen-2-ylbutylamino)methyl]benzonitrile
CID 102664299
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 102876330
N-[(3-methyltriazol-4-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 115682482

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The IUPAC name of 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine (CID 63454808) is 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The canonical SMILES for 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine is CCCC(NCc1c(C)cc(C)cc1C)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The InChIKey is QLWWZTFISLTDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-5-7-17(18-8-6-9-20-18)19-12-16-14(3)10-13(2)11-15(16)4/h6,8-11,17,19H,5,7,12H2,1-4H3.
What are the key properties of 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 63454808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).