3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one

C19H23NO — CID 63483365

IUPAC3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
SMILESCCN(CC(C)C(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H23NO/c1-4-20(18-12-10-15(2)11-13-18)14-16(3)19(21)17-8-6-5-7-9-17/h5-13,16H,4,14H2,1-3H3
InChIKeyNHBUEGLURNJQRN-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.34
Rot. Bonds6

About 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one

3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one (PubChem CID 63483365) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
PubChem CID63483365
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
SMILESCCN(CC(C)C(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H23NO/c1-4-20(18-12-10-15(2)11-13-18)14-16(3)19(21)17-8-6-5-7-9-17/h5-13,16H,4,14H2,1-3H3
InChIKeyNHBUEGLURNJQRN-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
CID 62611635
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid
CID 82318878
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
2-methyl-3-[methyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 62611631
2-[(N-ethyl-4-methylanilino)methyl]-3,3,3-trifluoropropanoic acid
CID 103773405
1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681
3-(N-ethylanilino)-2-methylpropanethioamide
CID 43367738
ethenyl 3-(N-ethylanilino)-2-methylpropanoate
CID 67266784
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one (CID 63483365) is 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one is CCN(CC(C)C(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one?
The InChIKey is NHBUEGLURNJQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-20(18-12-10-15(2)11-13-18)14-16(3)19(21)17-8-6-5-7-9-17/h5-13,16H,4,14H2,1-3H3.
What are the key properties of 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one?
3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 63483365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).