O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine

C12H18FNO — CID 117302040

IUPACO-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
SMILESCC(C)(F)Cc1cccc(CCON)c1
InChIInChI=1S/C12H18FNO/c1-12(2,13)9-11-5-3-4-10(8-11)6-7-15-14/h3-5,8H,6-7,9,14H2,1-2H3
InChIKeyDUIDRSMCOOMBIW-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.41
Rot. Bonds5

About O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine

O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine (PubChem CID 117302040) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
PubChem CID117302040
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameO-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
SMILESCC(C)(F)Cc1cccc(CCON)c1
InChIInChI=1S/C12H18FNO/c1-12(2,13)9-11-5-3-4-10(8-11)6-7-15-14/h3-5,8H,6-7,9,14H2,1-2H3
InChIKeyDUIDRSMCOOMBIW-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.41
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

1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
CID 84666435
1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
CID 167413999
O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
CID 117111409
3-(2-aminooxyethyl)phenol
CID 83479668
O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine
CID 117293106
(2-fluoro-2-methylpropyl)benzene
CID 14343442
O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine
CID 117333808
3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
CID 117320874
1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 134204316
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
O-[2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]ethyl]hydroxylamine
CID 117306588
O-[2-(3-nitrophenyl)ethyl]hydroxylamine
CID 67062828

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine (CID 117302040) is O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine is CC(C)(F)Cc1cccc(CCON)c1.
What is the InChIKey of O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine?
The InChIKey is DUIDRSMCOOMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,13)9-11-5-3-4-10(8-11)6-7-15-14/h3-5,8H,6-7,9,14H2,1-2H3.
What are the key properties of O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine?
O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine has a molecular weight of 211.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117302040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).