N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine

C11H16ClNO3 — CID 117366725

IUPACN-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(Cl)c(CNO)c1OC(C)C
InChIInChI=1S/C11H16ClNO3/c1-7(2)16-11-8(6-13-14)9(12)4-5-10(11)15-3/h4-5,7,13-14H,6H2,1-3H3
InChIKeyWGHDEOPRLUNIDZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.61
Rot. Bonds5

About N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine

N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine (PubChem CID 117366725) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine
PubChem CID117366725
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC NameN-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(Cl)c(CNO)c1OC(C)C
InChIInChI=1S/C11H16ClNO3/c1-7(2)16-11-8(6-13-14)9(12)4-5-10(11)15-3/h4-5,7,13-14H,6H2,1-3H3
InChIKeyWGHDEOPRLUNIDZ-UHFFFAOYSA-N
XLogP2.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine
CID 117403660
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537508
3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
CID 84777573
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 66537318
1-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)propan-2-one
CID 117484933
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 84791445
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 66537469
2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
CID 117489330
N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117280314
1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 66537474

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine (CID 117366725) is N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine is COc1ccc(Cl)c(CNO)c1OC(C)C.
What is the InChIKey of N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine?
The InChIKey is WGHDEOPRLUNIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-7(2)16-11-8(6-13-14)9(12)4-5-10(11)15-3/h4-5,7,13-14H,6H2,1-3H3.
What are the key properties of N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine?
N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine has a molecular weight of 245.71 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117366725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).