N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine

C14H23NO2 — CID 117347740

IUPACN-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
SMILESCOc1c(C(C)C)cc(CNO)cc1C(C)C
InChIInChI=1S/C14H23NO2/c1-9(2)12-6-11(8-15-16)7-13(10(3)4)14(12)17-5/h6-7,9-10,15-16H,8H2,1-5H3
InChIKeyXSJWKDXRJLGATO-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine

N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine (PubChem CID 117347740) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
PubChem CID117347740
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
SMILESCOc1c(C(C)C)cc(CNO)cc1C(C)C
InChIInChI=1S/C14H23NO2/c1-9(2)12-6-11(8-15-16)7-13(10(3)4)14(12)17-5/h6-7,9-10,15-16H,8H2,1-5H3
InChIKeyXSJWKDXRJLGATO-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337441
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117331725
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
N-[(4-propan-2-ylisoquinolin-7-yl)methyl]hydroxylamine
CID 117308278
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
2-[4-methoxy-3,5-di(propan-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607939
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine (CID 117347740) is N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine is COc1c(C(C)C)cc(CNO)cc1C(C)C.
What is the InChIKey of N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine?
The InChIKey is XSJWKDXRJLGATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(2)12-6-11(8-15-16)7-13(10(3)4)14(12)17-5/h6-7,9-10,15-16H,8H2,1-5H3.
What are the key properties of N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine?
N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine has a molecular weight of 237.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117347740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).