N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine

C29H23NO — CID 126215977

IUPACN-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1
InChIInChI=1S/C29H23NO/c1-21-13-16-25(17-14-21)30-19-28-27-12-5-3-8-23(27)15-18-29(28)31-20-24-10-6-9-22-7-2-4-11-26(22)24/h2-19H,20H2,1H3/b30-19+
InChIKeyHXRMVMDCXSVQHU-NDZAJKAJSA-N
MW401.51 g/mol
LogP7.63
Rot. Bonds5

About N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine

N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine (PubChem CID 126215977) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
PubChem CID126215977
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC NameN-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1
InChIInChI=1S/C29H23NO/c1-21-13-16-25(17-14-21)30-19-28-27-12-5-3-8-23(27)15-18-29(28)31-20-24-10-6-9-22-7-2-4-11-26(22)24/h2-19H,20H2,1H3/b30-19+
InChIKeyHXRMVMDCXSVQHU-NDZAJKAJSA-N
XLogP7.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.63
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

1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126218669
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126209227
N-(4-bromophenyl)-1-(2-phenylmethoxynaphthalen-1-yl)methanimine
CID 4779325
1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
CID 126208478
N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126223343
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine?
The IUPAC name of N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine (CID 126215977) is N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine.
What is the SMILES notation for N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine?
The canonical SMILES for N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine is Cc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine?
The InChIKey is HXRMVMDCXSVQHU-NDZAJKAJSA-N. The full InChI is InChI=1S/C29H23NO/c1-21-13-16-25(17-14-21)30-19-28-27-12-5-3-8-23(27)15-18-29(28)31-20-24-10-6-9-22-7-2-4-11-26(22)24/h2-19H,20H2,1H3/b30-19+.
What are the key properties of N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine?
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine has a molecular weight of 401.51 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine is sourced from PubChem (CID 126215977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).