O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine

C12H18ClNO2 — CID 117361513

IUPACO-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
SMILESCOc1c(C(C)C)cc(Cl)c(C)c1CON
InChIInChI=1S/C12H18ClNO2/c1-7(2)9-5-11(13)8(3)10(6-16-14)12(9)15-4/h5,7H,6,14H2,1-4H3
InChIKeyUPDIPDDKWLLPTJ-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.17
Rot. Bonds4

About O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine

O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine (PubChem CID 117361513) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
PubChem CID117361513
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameO-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
SMILESCOc1c(C(C)C)cc(Cl)c(C)c1CON
InChIInChI=1S/C12H18ClNO2/c1-7(2)9-5-11(13)8(3)10(6-16-14)12(9)15-4/h5,7H,6,14H2,1-4H3
InChIKeyUPDIPDDKWLLPTJ-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.17
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

3-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)propanal
CID 117390156
O-[(2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117299206
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
CID 117476823
O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
CID 117372417
O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
CID 117382145
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117288927
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
CID 167036227
3-amino-3-(3-chloro-4-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 117432170
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507

Frequently Asked Questions

What is the IUPAC name of O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine (CID 117361513) is O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine is COc1c(C(C)C)cc(Cl)c(C)c1CON.
What is the InChIKey of O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine?
The InChIKey is UPDIPDDKWLLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-7(2)9-5-11(13)8(3)10(6-16-14)12(9)15-4/h5,7H,6,14H2,1-4H3.
What are the key properties of O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine?
O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine has a molecular weight of 243.73 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117361513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).