1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone

C10H12ClNO2 — CID 82078374

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO2/c1-12-6-9(13)8-5-7(11)3-4-10(8)14-2/h3-5,12H,6H2,1-2H3
InChIKeyFKRHHXWRRRXARK-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.75
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone

1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone (PubChem CID 82078374) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
PubChem CID82078374
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO2/c1-12-6-9(13)8-5-7(11)3-4-10(8)14-2/h3-5,12H,6H2,1-2H3
InChIKeyFKRHHXWRRRXARK-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
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5-chloro-2-methoxybenzoate
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1-(5-chloro-2-methoxyphenyl)pent-3-yn-1-one
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1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
1-(5-chloro-2-methoxyphenyl)octan-1-one
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5-bromo-1-(5-chloro-2-methoxyphenyl)pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone (CID 82078374) is 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is FKRHHXWRRRXARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-12-6-9(13)8-5-7(11)3-4-10(8)14-2/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone?
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone has a molecular weight of 213.66 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82078374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).