O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine

C12H18ClNO3 — CID 117403660

IUPACO-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(Cl)c(CCON)c1OC(C)C
InChIInChI=1S/C12H18ClNO3/c1-8(2)17-12-9(6-7-16-14)10(13)4-5-11(12)15-3/h4-5,8H,6-7,14H2,1-3H3
InChIKeyPBQFMYIKKLPXCT-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.57
Rot. Bonds6

About O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine

O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine (PubChem CID 117403660) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine
PubChem CID117403660
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC NameO-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(Cl)c(CCON)c1OC(C)C
InChIInChI=1S/C12H18ClNO3/c1-8(2)17-12-9(6-7-16-14)10(13)4-5-11(12)15-3/h4-5,8H,6-7,14H2,1-3H3
InChIKeyPBQFMYIKKLPXCT-UHFFFAOYSA-N
XLogP2.57
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine
CID 117366725
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
O-[2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355268
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
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
CID 117382145
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
CID 117489330
O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117427096
1-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)propan-2-one
CID 117484933
O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117314453

Frequently Asked Questions

What is the IUPAC name of O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine (CID 117403660) is O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine is COc1ccc(Cl)c(CCON)c1OC(C)C.
What is the InChIKey of O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine?
The InChIKey is PBQFMYIKKLPXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-8(2)17-12-9(6-7-16-14)10(13)4-5-11(12)15-3/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine?
O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine has a molecular weight of 259.73 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117403660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).