N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine

C11H16ClNO2 — CID 117331725

IUPACN-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
SMILESCOc1cc(C(C)C)c(Cl)cc1CNO
InChIInChI=1S/C11H16ClNO2/c1-7(2)9-5-11(15-3)8(6-13-14)4-10(9)12/h4-5,7,13-14H,6H2,1-3H3
InChIKeyZANDBTJUWGUVCK-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.95
Rot. Bonds4

About N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine

N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine (PubChem CID 117331725) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
PubChem CID117331725
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameN-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
SMILESCOc1cc(C(C)C)c(Cl)cc1CNO
InChIInChI=1S/C11H16ClNO2/c1-7(2)9-5-11(15-3)8(6-13-14)4-10(9)12/h4-5,7,13-14H,6H2,1-3H3
InChIKeyZANDBTJUWGUVCK-UHFFFAOYSA-N
XLogP2.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.95
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-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
CID 70849705
1-chloro-5-(isocyanatomethyl)-4-methoxy-2-propan-2-ylbenzene
CID 117351956
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117391970
N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
CID 117347740
3-amino-1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)propan-1-one
CID 117392852
5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde
CID 59598753
4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol
CID 117307336
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117465379
(2S)-1-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 170294062

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine (CID 117331725) is N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine is COc1cc(C(C)C)c(Cl)cc1CNO.
What is the InChIKey of N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine?
The InChIKey is ZANDBTJUWGUVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7(2)9-5-11(15-3)8(6-13-14)4-10(9)12/h4-5,7,13-14H,6H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine?
N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine has a molecular weight of 229.71 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117331725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).