O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine

C9H13FN2O — CID 117279902

IUPACO-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine
SMILESCN(C)c1cccc(F)c1CON
InChIInChI=1S/C9H13FN2O/c1-12(2)9-5-3-4-8(10)7(9)6-13-11/h3-5H,6,11H2,1-2H3
InChIKeyMFJVOONOCJOIKG-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.28
Rot. Bonds3

About O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine

O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine (PubChem CID 117279902) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine
PubChem CID117279902
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC NameO-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine
SMILESCN(C)c1cccc(F)c1CON
InChIInChI=1S/C9H13FN2O/c1-12(2)9-5-3-4-8(10)7(9)6-13-11/h3-5H,6,11H2,1-2H3
InChIKeyMFJVOONOCJOIKG-UHFFFAOYSA-N
XLogP1.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline
CID 117297854
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
CID 19899901
O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine
CID 117111216
[2-[amino(methyl)amino]-6-fluorophenyl]methanol
CID 144830729
4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
CID 129110158
2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
CID 117300770
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 114065440
1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127062
2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 79517799
N'-[(2,6-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62682578
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573

Frequently Asked Questions

What is the IUPAC name of O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine (CID 117279902) is O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine is CN(C)c1cccc(F)c1CON.
What is the InChIKey of O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine?
The InChIKey is MFJVOONOCJOIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-12(2)9-5-3-4-8(10)7(9)6-13-11/h3-5H,6,11H2,1-2H3.
What are the key properties of O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine?
O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine has a molecular weight of 184.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine is sourced from PubChem (CID 117279902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).