1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone

C14H20ClNO3 — CID 117460366

IUPAC1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(Cl)c(OC)c(OC)c1C(C)C
InChIInChI=1S/C14H20ClNO3/c1-8(2)12-9(11(17)7-16-3)6-10(15)13(18-4)14(12)19-5/h6,8,16H,7H2,1-5H3
InChIKeyZUBRGGZRCSUEQL-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.88
Rot. Bonds6

About 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone

1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone (PubChem CID 117460366) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone
PubChem CID117460366
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(Cl)c(OC)c(OC)c1C(C)C
InChIInChI=1S/C14H20ClNO3/c1-8(2)12-9(11(17)7-16-3)6-10(15)13(18-4)14(12)19-5/h6,8,16H,7H2,1-5H3
InChIKeyZUBRGGZRCSUEQL-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)ethanone
CID 117479462
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
CID 117432206
1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117432208
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
1-(3-bromo-5-tert-butyl-2-methoxyphenyl)-2-(methylamino)ethanone
CID 117499837
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117369600
2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
CID 84702895
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide
CID 50882310

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone (CID 117460366) is 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(Cl)c(OC)c(OC)c1C(C)C.
What is the InChIKey of 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone?
The InChIKey is ZUBRGGZRCSUEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-8(2)12-9(11(17)7-16-3)6-10(15)13(18-4)14(12)19-5/h6,8,16H,7H2,1-5H3.
What are the key properties of 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone?
1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone has a molecular weight of 285.77 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117460366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).