1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine

C24H28N2O2 — CID 172954203

IUPAC1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine
SMILESC/C(=N/O)c1ccccc1.CC(=O)c1ccccc1.CC(N)c1ccccc1
InChIInChI=1S/C8H9NO.C8H11N.C8H8O/c1-7(9-10)8-5-3-2-4-6-8;2*1-7(9)8-5-3-2-4-6-8/h2-6,10H,1H3;2-7H,9H2,1H3;2-6H,1H3/b9-7-;;
InChIKeyQJKYGAOARYAFEK-COUYFGMESA-N
MW376.50 g/mol
LogP5.48
Rot. Bonds3

About 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine

1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine (PubChem CID 172954203) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine.

Molecular Properties

Compound Name1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine
PubChem CID172954203
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine
SMILESC/C(=N/O)c1ccccc1.CC(=O)c1ccccc1.CC(N)c1ccccc1
InChIInChI=1S/C8H9NO.C8H11N.C8H8O/c1-7(9-10)8-5-3-2-4-6-8;2*1-7(9)8-5-3-2-4-6-8/h2-6,10H,1H3;2-7H,9H2,1H3;2-6H,1H3/b9-7-;;
InChIKeyQJKYGAOARYAFEK-COUYFGMESA-N
XLogP5.48
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(Methoxyamino)-1,3-diphenyl-1-propanone
CID 366195
(3S)-3-(methoxyamino)-1,3-diphenylpropan-1-one
CID 12062662
2-(2-(2-Oxo-1,2-diphenylethylidene)hydrazino)-2-phenylacetamide
CID 5887447
(2E)-2-(Benzylimino)-1,2-diphenylethan-1-one
CID 12943333
2,2,2-trifluoro-1-phenylethanamine;2,2,2-trifluoro-1-phenylethanone;(NE)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
CID 172935098
(5-Phenyl-4,5-dihydro-1h-pyrazole-3,4-diyl)bis(phenylmethanone)
CID 272610
1-Propanone, 1,3-diphenyl-3-[(phenylmethyl)imino]-
CID 7157387
(2E)-1,2-Diphenyl-2-[(1-phenylethyl)imino]ethan-1-one
CID 12720799
benzoyl[N-benzyl(phenylglyoxylimidoyl)]ketene
CID 100953610
N-(4-benzoyl-6-benzoyliminocyclohexa-2,4-dien-1-ylidene)benzamide
CID 101418154
(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one
CID 134868095
2-[(2E)-2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-2-phenylacetamide
CID 5464788

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine?
The IUPAC name of 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine (CID 172954203) is 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine.
What is the SMILES notation for 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine?
The canonical SMILES for 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine is C/C(=N/O)c1ccccc1.CC(=O)c1ccccc1.CC(N)c1ccccc1.
What is the InChIKey of 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine?
The InChIKey is QJKYGAOARYAFEK-COUYFGMESA-N. The full InChI is InChI=1S/C8H9NO.C8H11N.C8H8O/c1-7(9-10)8-5-3-2-4-6-8;2*1-7(9)8-5-3-2-4-6-8/h2-6,10H,1H3;2-7H,9H2,1H3;2-6H,1H3/b9-7-;;.
What are the key properties of 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine?
1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine has a molecular weight of 376.50 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanamine;1-phenylethanone;(NZ)-N-(1-phenylethylidene)hydroxylamine is sourced from PubChem (CID 172954203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).