2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone

C15H17NOS — CID 62030952

IUPAC2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
SMILESCc1cccc(CN(C)CC(=O)c2cccs2)c1
InChIInChI=1S/C15H17NOS/c1-12-5-3-6-13(9-12)10-16(2)11-14(17)15-7-4-8-18-15/h3-9H,10-11H2,1-2H3
InChIKeyKUZUZHKVWMXZLA-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.37
Rot. Bonds5

About 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone

2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone (PubChem CID 62030952) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
PubChem CID62030952
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
SMILESCc1cccc(CN(C)CC(=O)c2cccs2)c1
InChIInChI=1S/C15H17NOS/c1-12-5-3-6-13(9-12)10-16(2)11-14(17)15-7-4-8-18-15/h3-9H,10-11H2,1-2H3
InChIKeyKUZUZHKVWMXZLA-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone
CID 62037588
1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
CID 63913034
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
CID 62042480
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
CID 61414221
N-methyl-3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]propanamide
CID 106916547
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 47076234
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone (CID 62030952) is 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone is Cc1cccc(CN(C)CC(=O)c2cccs2)c1.
What is the InChIKey of 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone?
The InChIKey is KUZUZHKVWMXZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-5-3-6-13(9-12)10-16(2)11-14(17)15-7-4-8-18-15/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone?
2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone has a molecular weight of 259.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 62030952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).