O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine

C12H18FNO3 — CID 117359887

IUPACO-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(C(C)(C)F)c(OC)cc1CON
InChIInChI=1S/C12H18FNO3/c1-12(2,13)9-6-10(15-3)8(7-17-14)5-11(9)16-4/h5-6H,7,14H2,1-4H3
InChIKeyBPVVDODCFBJJEI-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.30
Rot. Bonds5

About O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine

O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine (PubChem CID 117359887) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine
PubChem CID117359887
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC NameO-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine
SMILESCOc1cc(C(C)(C)F)c(OC)cc1CON
InChIInChI=1S/C12H18FNO3/c1-12(2,13)9-6-10(15-3)8(7-17-14)5-11(9)16-4/h5-6H,7,14H2,1-4H3
InChIKeyBPVVDODCFBJJEI-UHFFFAOYSA-N
XLogP2.30
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117380356
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,5-dimethoxyphenyl]ethanamine
CID 169149363
O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine
CID 117308978
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
CID 84695385
4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
[1-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421898
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953

Frequently Asked Questions

What is the IUPAC name of O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine (CID 117359887) is O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine is COc1cc(C(C)(C)F)c(OC)cc1CON.
What is the InChIKey of O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine?
The InChIKey is BPVVDODCFBJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-12(2,13)9-6-10(15-3)8(7-17-14)5-11(9)16-4/h5-6H,7,14H2,1-4H3.
What are the key properties of O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine?
O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine has a molecular weight of 243.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117359887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).