1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone

C12H17NO2 — CID 115576830

IUPAC1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
SMILESCOCC(C)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H17NO2/c1-9(8-15-3)13-12-6-4-11(5-7-12)10(2)14/h4-7,9,13H,8H2,1-3H3
InChIKeyYMGXJCGGIDMZKK-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.34
Rot. Bonds5

About 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone

1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone (PubChem CID 115576830) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
PubChem CID115576830
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
SMILESCOCC(C)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H17NO2/c1-9(8-15-3)13-12-6-4-11(5-7-12)10(2)14/h4-7,9,13H,8H2,1-3H3
InChIKeyYMGXJCGGIDMZKK-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(1-methoxypropan-2-ylamino)benzamide
CID 62534322
2-(4-acetylanilino)-3-methoxypropanoic acid
CID 112518179
N-(2-hydroxyethyl)-4-(1-methoxypropan-2-ylamino)benzamide
CID 55086136
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
CID 114468361
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 62534120
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
ethyl 2-(4-acetylanilino)propanoate
CID 62004850
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone (CID 115576830) is 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone is COCC(C)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone?
The InChIKey is YMGXJCGGIDMZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(8-15-3)13-12-6-4-11(5-7-12)10(2)14/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone?
1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone is sourced from PubChem (CID 115576830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).