N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine

C21H24FNO2 — CID 86237178

IUPACN-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESON=C(c1ccc(OCc2ccccc2)cc1F)C1CCCCCC1
InChIInChI=1S/C21H24FNO2/c22-20-14-18(25-15-16-8-4-3-5-9-16)12-13-19(20)21(23-24)17-10-6-1-2-7-11-17/h3-5,8-9,12-14,17,24H,1-2,6-7,10-11,15H2
InChIKeyINTHHBWHKJVANA-UHFFFAOYSA-N
MW341.43 g/mol
LogP5.55
Rot. Bonds5

About N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine

N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine (PubChem CID 86237178) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
PubChem CID86237178
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC NameN-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESON=C(c1ccc(OCc2ccccc2)cc1F)C1CCCCCC1
InChIInChI=1S/C21H24FNO2/c22-20-14-18(25-15-16-8-4-3-5-9-16)12-13-19(20)21(23-24)17-10-6-1-2-7-11-17/h3-5,8-9,12-14,17,24H,1-2,6-7,10-11,15H2
InChIKeyINTHHBWHKJVANA-UHFFFAOYSA-N
XLogP5.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 55.55
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

(2-benzylsulfanyl-4-phenylmethoxyphenyl)-cyclohexylmethanone
CID 67313980
1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone
CID 67219242
methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 170640428
2-fluoro-1-nitroso-4-phenylmethoxybenzene
CID 123801524
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-phenylmethoxyphenol
CID 135699535
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
[2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11567155
N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide
CID 58221370
N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
CID 174750219
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
N-cyclohexyl-3-phenylmethoxybenzenecarbothioamide
CID 2236040

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine (CID 86237178) is N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine is ON=C(c1ccc(OCc2ccccc2)cc1F)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is INTHHBWHKJVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c22-20-14-18(25-15-16-8-4-3-5-9-16)12-13-19(20)21(23-24)17-10-6-1-2-7-11-17/h3-5,8-9,12-14,17,24H,1-2,6-7,10-11,15H2.
What are the key properties of N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 341.43 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 86237178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).