1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one

C18H22N2O2 — CID 82258145

IUPAC1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one
SMILESCCC(NCc1ccc(OC)cc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C18H22N2O2/c1-3-17(18(21)14-6-8-15(19)9-7-14)20-12-13-4-10-16(22-2)11-5-13/h4-11,17,20H,3,12,19H2,1-2H3
InChIKeyLNFQYFDDYWXQFP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.03
Rot. Bonds7

About 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one

1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one (PubChem CID 82258145) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one
PubChem CID82258145
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one
SMILESCCC(NCc1ccc(OC)cc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C18H22N2O2/c1-3-17(18(21)14-6-8-15(19)9-7-14)20-12-13-4-10-16(22-2)11-5-13/h4-11,17,20H,3,12,19H2,1-2H3
InChIKeyLNFQYFDDYWXQFP-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one
CID 112512226
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
1-(3-amino-4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)butan-1-one
CID 82258463
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-aminobenzoate
CID 51980322
(2R)-4-(4-tert-butylphenyl)-2-[(4-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 981622
tert-butyl (2S)-4-amino-2-[(4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 165073199
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one (CID 82258145) is 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one is CCC(NCc1ccc(OC)cc1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one?
The InChIKey is LNFQYFDDYWXQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-17(18(21)14-6-8-15(19)9-7-14)20-12-13-4-10-16(22-2)11-5-13/h4-11,17,20H,3,12,19H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one?
1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one has a molecular weight of 298.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one is sourced from PubChem (CID 82258145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).