(E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine

C16H15NO — CID 134846318

IUPAC(E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESc1ccc(O/N=C2\CCCc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-2-9-14(10-3-1)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11H,6,8,12H2/b17-16+
InChIKeyRCVQCDNUVSQHGX-WUKNDPDISA-N
MW237.30 g/mol
LogP3.81
Rot. Bonds2

About (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine

(E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 134846318) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID134846318
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESc1ccc(O/N=C2\CCCc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-2-9-14(10-3-1)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11H,6,8,12H2/b17-16+
InChIKeyRCVQCDNUVSQHGX-WUKNDPDISA-N
XLogP3.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3,4-dihydro-2H-naphthalen-1-imine
CID 6156898
(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine
CID 11057088
N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine
CID 78597360
methyl (E)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]oxyprop-2-enoate
CID 11821314
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
2-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzenesulfonate
CID 138111087
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
(E)-N-(1-phenylethenoxy)-2,3-dihydroinden-1-imine
CID 89209386
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 5191870
N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
CID 2818132
4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
CID 9013002
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine (CID 134846318) is (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine is c1ccc(O/N=C2\CCCc3ccccc32)cc1.
What is the InChIKey of (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is RCVQCDNUVSQHGX-WUKNDPDISA-N. The full InChI is InChI=1S/C16H15NO/c1-2-9-14(10-3-1)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11H,6,8,12H2/b17-16+.
What are the key properties of (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 237.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 134846318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).