O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine

C13H19NO2 — CID 117316718

IUPACO-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine
SMILESCOc1cc(C)c2c(c1CON)CCCC2
InChIInChI=1S/C13H19NO2/c1-9-7-13(15-2)12(8-16-14)11-6-4-3-5-10(9)11/h7H,3-6,8,14H2,1-2H3
InChIKeyQQVSUVLTFTXHDF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.27
Rot. Bonds3

About O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine

O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine (PubChem CID 117316718) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine
PubChem CID117316718
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameO-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine
SMILESCOc1cc(C)c2c(c1CON)CCCC2
InChIInChI=1S/C13H19NO2/c1-9-7-13(15-2)12(8-16-14)11-6-4-3-5-10(9)11/h7H,3-6,8,14H2,1-2H3
InChIKeyQQVSUVLTFTXHDF-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.27
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

4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine
CID 117372064
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117343417
O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
CID 117286966
1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117371832
O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine
CID 117397124
4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
CID 117296210
4-(2-aminoethyl)-3-methoxy-5-methylphenol
CID 117278760
O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
CID 117372417
O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117366988
O-[(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)methyl]hydroxylamine
CID 117392802
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273

Frequently Asked Questions

What is the IUPAC name of O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine?
The IUPAC name of O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine (CID 117316718) is O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine is COc1cc(C)c2c(c1CON)CCCC2.
What is the InChIKey of O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine?
The InChIKey is QQVSUVLTFTXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-13(15-2)12(8-16-14)11-6-4-3-5-10(9)11/h7H,3-6,8,14H2,1-2H3.
What are the key properties of O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine?
O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine has a molecular weight of 221.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine is sourced from PubChem (CID 117316718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).