1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone

C13H18ClNO3 — CID 117432206

IUPAC1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC(C)C)c(OC)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-8(2)18-13-5-9(11(16)7-15-3)10(14)6-12(13)17-4/h5-6,8,15H,7H2,1-4H3
InChIKeyUMUWYKATNWOJQL-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.54
Rot. Bonds6

About 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone

1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone (PubChem CID 117432206) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
PubChem CID117432206
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC(C)C)c(OC)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-8(2)18-13-5-9(11(16)7-15-3)10(14)6-12(13)17-4/h5-6,8,15H,7H2,1-4H3
InChIKeyUMUWYKATNWOJQL-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
1-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-one
CID 43340681
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117434580
1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117460366
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 117462501
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
CID 82551491
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone (CID 117432206) is 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(OC(C)C)c(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone?
The InChIKey is UMUWYKATNWOJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(2)18-13-5-9(11(16)7-15-3)10(14)6-12(13)17-4/h5-6,8,15H,7H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone?
1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone has a molecular weight of 271.74 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117432206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).