1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine

C28H21NO — CID 126215170

IUPAC1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1c(OCc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C28H21NO/c1-2-13-24(14-3-1)29-19-27-26-16-7-5-10-22(26)17-18-28(27)30-20-23-12-8-11-21-9-4-6-15-25(21)23/h1-19H,20H2/b29-19+
InChIKeyBBOPLFVYECDAQV-VUTHCHCSSA-N
MW387.48 g/mol
LogP7.32
Rot. Bonds5

About 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine

1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine (PubChem CID 126215170) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
PubChem CID126215170
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1c(OCc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C28H21NO/c1-2-13-24(14-3-1)29-19-27-26-16-7-5-10-22(26)17-18-28(27)30-20-23-12-8-11-21-9-4-6-15-25(21)23/h1-19H,20H2/b29-19+
InChIKeyBBOPLFVYECDAQV-VUTHCHCSSA-N
XLogP7.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
CID 126208478
N-(4-bromophenyl)-1-(2-phenylmethoxynaphthalen-1-yl)methanimine
CID 4779325
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126218669
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132
3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406359
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126223338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine?
The IUPAC name of 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine (CID 126215170) is 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine is C(=N/c1ccccc1)\c1c(OCc2cccc3ccccc23)ccc2ccccc12.
What is the InChIKey of 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine?
The InChIKey is BBOPLFVYECDAQV-VUTHCHCSSA-N. The full InChI is InChI=1S/C28H21NO/c1-2-13-24(14-3-1)29-19-27-26-16-7-5-10-22(26)17-18-28(27)30-20-23-12-8-11-21-9-4-6-15-25(21)23/h1-19H,20H2/b29-19+.
What are the key properties of 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine?
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine has a molecular weight of 387.48 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine is sourced from PubChem (CID 126215170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).