(NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine

C13H16FNO — CID 145463470

IUPAC(NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)C1CC1(C)c1ccc(F)c(C)c1
InChIInChI=1S/C13H16FNO/c1-8-6-10(4-5-12(8)14)13(3)7-11(13)9(2)15-16/h4-6,11,16H,7H2,1-3H3/b15-9+
InChIKeyMTJUCGWLTWPDBK-OQLLNIDSSA-N
MW221.27 g/mol
LogP3.26
Rot. Bonds2

About (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine

(NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine (PubChem CID 145463470) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine
PubChem CID145463470
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name(NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)C1CC1(C)c1ccc(F)c(C)c1
InChIInChI=1S/C13H16FNO/c1-8-6-10(4-5-12(8)14)13(3)7-11(13)9(2)15-16/h4-6,11,16H,7H2,1-3H3/b15-9+
InChIKeyMTJUCGWLTWPDBK-OQLLNIDSSA-N
XLogP3.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.26
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

5-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]-N-methylpentan-2-imine
CID 145463478
1-(4-fluoro-3-methylphenyl)-3-methylcyclobutan-1-ol
CID 103564406
1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663637
2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 62388315
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695
3-(4-fluoro-3-methylphenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171959317
3-(4-fluoro-3-methylphenyl)-5,5-dimethylthian-3-ol
CID 79947637
2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide
CID 155944590
1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine
CID 141035395
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
3-(4-fluoro-3-methylphenyl)oxetane-3-thiol
CID 116872842
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine (CID 145463470) is (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine is C/C(=N\O)C1CC1(C)c1ccc(F)c(C)c1.
What is the InChIKey of (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine?
The InChIKey is MTJUCGWLTWPDBK-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H16FNO/c1-8-6-10(4-5-12(8)14)13(3)7-11(13)9(2)15-16/h4-6,11,16H,7H2,1-3H3/b15-9+.
What are the key properties of (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine?
(NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine has a molecular weight of 221.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene]hydroxylamine is sourced from PubChem (CID 145463470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).