N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C19H21NO3 — CID 85439199

IUPACN-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCOCc1c(OCc2ccccc2)ccc2c1CCCC2=NO
InChIInChI=1S/C19H21NO3/c1-22-13-17-15-8-5-9-18(20-21)16(15)10-11-19(17)23-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,21H,5,8-9,12-13H2,1H3
InChIKeyGYEYKYMBVSCXJR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.93
Rot. Bonds5

About N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 85439199) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID85439199
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCOCc1c(OCc2ccccc2)ccc2c1CCCC2=NO
InChIInChI=1S/C19H21NO3/c1-22-13-17-15-8-5-9-18(20-21)16(15)10-11-19(17)23-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,21H,5,8-9,12-13H2,1H3
InChIKeyGYEYKYMBVSCXJR-UHFFFAOYSA-N
XLogP3.93
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 13286576
(2Z)-2-hydroxyimino-5-(methylsulfonylmethyl)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 88822788
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
3-(8-hydroxyimino-3-phenylmethoxy-6,7-dihydro-5H-naphthalen-2-yl)propyl benzoate
CID 173317488
N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067697
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498
5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
CID 13067348
N-[6-(2-phenylethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 85168122
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]butan-2-ol
CID 77067742
N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067678
(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 80696031

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 85439199) is N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is COCc1c(OCc2ccccc2)ccc2c1CCCC2=NO.
What is the InChIKey of N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is GYEYKYMBVSCXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-13-17-15-8-5-9-18(20-21)16(15)10-11-19(17)23-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,21H,5,8-9,12-13H2,1H3.
What are the key properties of N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 311.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 85439199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).