O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine

C14H21NO2 — CID 117343417

IUPACO-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
SMILESCOc1cc2c(c(C)c1CCON)CCCC2
InChIInChI=1S/C14H21NO2/c1-10-12-6-4-3-5-11(12)9-14(16-2)13(10)7-8-17-15/h9H,3-8,15H2,1-2H3
InChIKeyVELGEKOMUBIJKU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds4

About O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine

O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine (PubChem CID 117343417) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
PubChem CID117343417
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameO-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
SMILESCOc1cc2c(c(C)c1CCON)CCCC2
InChIInChI=1S/C14H21NO2/c1-10-12-6-4-3-5-11(12)9-14(16-2)13(10)7-8-17-15/h9H,3-8,15H2,1-2H3
InChIKeyVELGEKOMUBIJKU-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
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

1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117371832
2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 117436649
O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine
CID 117316718
O-[2-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethyl]hydroxylamine
CID 117499820
O-[2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117324460
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine
CID 117372064
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
CID 83482053
6-(1-isocyanatocyclopentyl)-7-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalene
CID 117459832

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine (CID 117343417) is O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine is COc1cc2c(c(C)c1CCON)CCCC2.
What is the InChIKey of O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine?
The InChIKey is VELGEKOMUBIJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-12-6-4-3-5-11(12)9-14(16-2)13(10)7-8-17-15/h9H,3-8,15H2,1-2H3.
What are the key properties of O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine?
O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine has a molecular weight of 235.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117343417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).