N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine

C18H19NO2 — CID 174750219

IUPACN-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
SMILESON=CC1CCCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H19NO2/c20-19-12-16-8-4-7-15-9-10-17(11-18(15)16)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,16,20H,4,7-8,13H2
InChIKeyCBGMKHQJKBFIIN-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.15
Rot. Bonds4

About N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine

N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine (PubChem CID 174750219) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
PubChem CID174750219
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
SMILESON=CC1CCCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H19NO2/c20-19-12-16-8-4-7-15-9-10-17(11-18(15)16)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,16,20H,4,7-8,13H2
InChIKeyCBGMKHQJKBFIIN-UHFFFAOYSA-N
XLogP4.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 142456783
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
6-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410362
N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
CID 85289014
(2S)-1-amino-3-phenoxy-1-(3-phenylmethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propan-2-ol;hydrochloride
CID 70180730
N-benzyl-N-(2-hydroxyethyl)-4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 59448489
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
N-[cycloheptyl-(2-fluoro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 86237178
ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate
CID 135245038

Frequently Asked Questions

What is the IUPAC name of N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine (CID 174750219) is N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine is ON=CC1CCCc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine?
The InChIKey is CBGMKHQJKBFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-19-12-16-8-4-7-15-9-10-17(11-18(15)16)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,16,20H,4,7-8,13H2.
What are the key properties of N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine?
N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine has a molecular weight of 281.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 174750219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).