1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one

C15H16ClNOS — CID 112677354

IUPAC1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H16ClNOS/c1-3-14(18)12-6-4-5-7-13(12)17(2)10-11-8-9-15(16)19-11/h4-9H,3,10H2,1-2H3
InChIKeyLUJCCLDSSRRVRV-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.63
Rot. Bonds5

About 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one

1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one (PubChem CID 112677354) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
PubChem CID112677354
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H16ClNOS/c1-3-14(18)12-6-4-5-7-13(12)17(2)10-11-8-9-15(16)19-11/h4-9H,3,10H2,1-2H3
InChIKeyLUJCCLDSSRRVRV-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
ethyl 2-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoate
CID 115545135
1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
CID 112677258
2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde
CID 61442333
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 112677450
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
CID 62050511
methyl 3-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoate
CID 115934324
3-(N-methyl-2-propanoylanilino)propanenitrile
CID 112677271

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one (CID 112677354) is 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one is CCC(=O)c1ccccc1N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one?
The InChIKey is LUJCCLDSSRRVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-3-14(18)12-6-4-5-7-13(12)17(2)10-11-8-9-15(16)19-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one?
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one has a molecular weight of 293.82 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one is sourced from PubChem (CID 112677354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).