(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C17H17NO2 — CID 10659475

IUPAC(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCOc1ccc(C2CCc3ccccc3/C2=N/O)cc1
InChIInChI=1S/C17H17NO2/c1-20-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17(16)18-19/h2-7,9-10,16,19H,8,11H2,1H3/b18-17-
InChIKeySYQKZIJAMNXNEE-ZCXUNETKSA-N
MW267.33 g/mol
LogP3.60
Rot. Bonds2

About (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 10659475) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID10659475
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCOc1ccc(C2CCc3ccccc3/C2=N/O)cc1
InChIInChI=1S/C17H17NO2/c1-20-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17(16)18-19/h2-7,9-10,16,19H,8,11H2,1H3/b18-17-
InChIKeySYQKZIJAMNXNEE-ZCXUNETKSA-N
XLogP3.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.60
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

(NE)-N-(7-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 10635537
4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol
CID 129409898
(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129409889
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
N-(2-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 85451708
(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine
CID 10599690
(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine
CID 10647239
(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 11688277
4,14-dibromo-8-(4-methoxyphenyl)tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163699089
(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine
CID 5383421
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
4-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 141294884

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 10659475) is (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is COc1ccc(C2CCc3ccccc3/C2=N/O)cc1.
What is the InChIKey of (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is SYQKZIJAMNXNEE-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17(16)18-19/h2-7,9-10,16,19H,8,11H2,1H3/b18-17-.
What are the key properties of (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 267.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 10659475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).