N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine

C14H18FNO2 — CID 114346124

IUPACN-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
SMILESCc1cc(F)ccc1COC1CCC(=NO)CC1
InChIInChI=1S/C14H18FNO2/c1-10-8-12(15)3-2-11(10)9-18-14-6-4-13(16-17)5-7-14/h2-3,8,14,17H,4-7,9H2,1H3/b16-13-
InChIKeyZDHPOHQNCVZPNZ-SSZFMOIBSA-N
MW251.30 g/mol
LogP3.42
Rot. Bonds3

About N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine

N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine (PubChem CID 114346124) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
PubChem CID114346124
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
SMILESCc1cc(F)ccc1COC1CCC(=NO)CC1
InChIInChI=1S/C14H18FNO2/c1-10-8-12(15)3-2-11(10)9-18-14-6-4-13(16-17)5-7-14/h2-3,8,14,17H,4-7,9H2,1H3/b16-13-
InChIKeyZDHPOHQNCVZPNZ-SSZFMOIBSA-N
XLogP3.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine
CID 113471027
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
[2-[(4,4-dimethylcyclohexyl)oxymethyl]-5-fluorophenyl]boronic acid
CID 114341873
(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate
CID 151248116
2-(cyclobutyloxymethyl)-5-fluoroaniline
CID 64768837
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene
CID 63457702
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
2-(cycloheptyloxymethyl)-5-fluorobenzenecarbothioamide
CID 63290600
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine?
The IUPAC name of N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine (CID 114346124) is N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine is Cc1cc(F)ccc1COC1CCC(=NO)CC1.
What is the InChIKey of N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine?
The InChIKey is ZDHPOHQNCVZPNZ-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-8-12(15)3-2-11(10)9-18-14-6-4-13(16-17)5-7-14/h2-3,8,14,17H,4-7,9H2,1H3/b16-13-.
What are the key properties of N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine?
N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine has a molecular weight of 251.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine is sourced from PubChem (CID 114346124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).