1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone

C12H17NO2 — CID 61427259

IUPAC1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
SMILESCOCCN(C)c1ccccc1C(C)=O
InChIInChI=1S/C12H17NO2/c1-10(14)11-6-4-5-7-12(11)13(2)8-9-15-3/h4-7H,8-9H2,1-3H3
InChIKeyDRHZHTURRJLVDM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.97
Rot. Bonds5

About 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone

1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone (PubChem CID 61427259) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
PubChem CID61427259
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
SMILESCOCCN(C)c1ccccc1C(C)=O
InChIInChI=1S/C12H17NO2/c1-10(14)11-6-4-5-7-12(11)13(2)8-9-15-3/h4-7H,8-9H2,1-3H3
InChIKeyDRHZHTURRJLVDM-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677336
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid
CID 54969050
1-[2-[(4-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 60699051
1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
CID 115613776
2-amino-3-[3-methoxypropyl(methyl)amino]benzoic acid
CID 115545998
1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
CID 137482788
2-[3-methoxypropyl(methyl)amino]phenol
CID 134473103
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
CID 114949916
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone (CID 61427259) is 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone is COCCN(C)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone?
The InChIKey is DRHZHTURRJLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(14)11-6-4-5-7-12(11)13(2)8-9-15-3/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone?
1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 61427259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).