N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine

C16H17NO — CID 174958902

IUPACN-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine
SMILESCc1ccc(CC(=NO)c2ccccc2)cc1C
InChIInChI=1S/C16H17NO/c1-12-8-9-14(10-13(12)2)11-16(17-18)15-6-4-3-5-7-15/h3-10,18H,11H2,1-2H3
InChIKeyQHWJEWWDBUEUAV-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.72
Rot. Bonds3

About N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine

N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine (PubChem CID 174958902) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine
PubChem CID174958902
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine
SMILESCc1ccc(CC(=NO)c2ccccc2)cc1C
InChIInChI=1S/C16H17NO/c1-12-8-9-14(10-13(12)2)11-16(17-18)15-6-4-3-5-7-15/h3-10,18H,11H2,1-2H3
InChIKeyQHWJEWWDBUEUAV-UHFFFAOYSA-N
XLogP3.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
CID 134924868
N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine
CID 72597447
N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 71393953
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
1-anilino-3-(3,4-dimethylphenyl)propan-2-one
CID 116555415
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine
CID 156568627
4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
CID 136826320
CID 134863341
CID 134863341
N'-amino-2-(3,4-dimethylphenyl)ethanimidamide
CID 62539150

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine (CID 174958902) is N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine is Cc1ccc(CC(=NO)c2ccccc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine?
The InChIKey is QHWJEWWDBUEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-8-9-14(10-13(12)2)11-16(17-18)15-6-4-3-5-7-15/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine?
N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine has a molecular weight of 239.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 174958902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).