N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine

C11H16FNO — CID 84774507

IUPACN-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine
SMILESCC(C)c1ccc(F)cc1CN(C)O
InChIInChI=1S/C11H16FNO/c1-8(2)11-5-4-10(12)6-9(11)7-13(3)14/h4-6,8,14H,7H2,1-3H3
InChIKeyXYWLQESBGKHUGI-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.77
Rot. Bonds3

About N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine

N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84774507) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine
PubChem CID84774507
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine
SMILESCC(C)c1ccc(F)cc1CN(C)O
InChIInChI=1S/C11H16FNO/c1-8(2)11-5-4-10(12)6-9(11)7-13(3)14/h4-6,8,14H,7H2,1-3H3
InChIKeyXYWLQESBGKHUGI-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene
CID 168744477
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
2-[1-[butan-2-yl(methyl)amino]ethyl]-5-fluorophenol
CID 82977411
1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
CID 102609429
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol
CID 130731463
(2-ethyl-4-fluorophenyl)-(4-fluorophenyl)methanol
CID 146466403
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol
CID 167533116
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine (CID 84774507) is N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine is CC(C)c1ccc(F)cc1CN(C)O.
What is the InChIKey of N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is XYWLQESBGKHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(2)11-5-4-10(12)6-9(11)7-13(3)14/h4-6,8,14H,7H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine?
N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 197.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84774507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).