1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one

C12H17NO2 — CID 3072558

IUPAC1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
SMILESCCOc1ccc(C(=O)CCNC)cc1
InChIInChI=1S/C12H17NO2/c1-3-15-11-6-4-10(5-7-11)12(14)8-9-13-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyZXSAYNRSJSCKCC-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.88
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one

1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one (PubChem CID 3072558) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
PubChem CID3072558
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
SMILESCCOc1ccc(C(=O)CCNC)cc1
InChIInChI=1S/C12H17NO2/c1-3-15-11-6-4-10(5-7-11)12(14)8-9-13-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyZXSAYNRSJSCKCC-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495
3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
CID 24727563
1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
CID 82053444

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one (CID 3072558) is 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one is CCOc1ccc(C(=O)CCNC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one?
The InChIKey is ZXSAYNRSJSCKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-11-6-4-10(5-7-11)12(14)8-9-13-2/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one?
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 3072558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).