1-anilino-1-(2-methoxyphenyl)hexan-3-one

C19H23NO2 — CID 141367830

IUPAC1-anilino-1-(2-methoxyphenyl)hexan-3-one
SMILESCCCC(=O)CC(Nc1ccccc1)c1ccccc1OC
InChIInChI=1S/C19H23NO2/c1-3-9-16(21)14-18(20-15-10-5-4-6-11-15)17-12-7-8-13-19(17)22-2/h4-8,10-13,18,20H,3,9,14H2,1-2H3
InChIKeyVQFIEUVKTCLTEZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.61
Rot. Bonds8

About 1-anilino-1-(2-methoxyphenyl)hexan-3-one

1-anilino-1-(2-methoxyphenyl)hexan-3-one (PubChem CID 141367830) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-anilino-1-(2-methoxyphenyl)hexan-3-one.

Molecular Properties

Compound Name1-anilino-1-(2-methoxyphenyl)hexan-3-one
PubChem CID141367830
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-anilino-1-(2-methoxyphenyl)hexan-3-one
SMILESCCCC(=O)CC(Nc1ccccc1)c1ccccc1OC
InChIInChI=1S/C19H23NO2/c1-3-9-16(21)14-18(20-15-10-5-4-6-11-15)17-12-7-8-13-19(17)22-2/h4-8,10-13,18,20H,3,9,14H2,1-2H3
InChIKeyVQFIEUVKTCLTEZ-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloroanilino)-1-phenylhexan-3-one
CID 15258850
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
CID 12543528
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate
CID 10782581
N-[(1R)-1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
CID 7061567
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
(2S)-2-anilinopentanoic acid
CID 22847649
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl 2-anilinopentanoate
CID 60992581
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404

Frequently Asked Questions

What is the IUPAC name of 1-anilino-1-(2-methoxyphenyl)hexan-3-one?
The IUPAC name of 1-anilino-1-(2-methoxyphenyl)hexan-3-one (CID 141367830) is 1-anilino-1-(2-methoxyphenyl)hexan-3-one.
What is the SMILES notation for 1-anilino-1-(2-methoxyphenyl)hexan-3-one?
The canonical SMILES for 1-anilino-1-(2-methoxyphenyl)hexan-3-one is CCCC(=O)CC(Nc1ccccc1)c1ccccc1OC.
What is the InChIKey of 1-anilino-1-(2-methoxyphenyl)hexan-3-one?
The InChIKey is VQFIEUVKTCLTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-9-16(21)14-18(20-15-10-5-4-6-11-15)17-12-7-8-13-19(17)22-2/h4-8,10-13,18,20H,3,9,14H2,1-2H3.
What are the key properties of 1-anilino-1-(2-methoxyphenyl)hexan-3-one?
1-anilino-1-(2-methoxyphenyl)hexan-3-one has a molecular weight of 297.40 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-1-(2-methoxyphenyl)hexan-3-one is sourced from PubChem (CID 141367830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).