N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine

C28H27NO2 — CID 126205495

IUPACN-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C28H27NO2/c1-4-30-28-17-22(18-29-26-14-12-20(2)16-21(26)3)13-15-27(28)31-19-24-10-7-9-23-8-5-6-11-25(23)24/h5-18H,4,19H2,1-3H3/b29-18+
InChIKeyBACLCCHJCGEFRX-RDRPBHBLSA-N
MW409.53 g/mol
LogP7.18
Rot. Bonds7

About N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine

N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine (PubChem CID 126205495) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
PubChem CID126205495
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC NameN-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C28H27NO2/c1-4-30-28-17-22(18-29-26-14-12-20(2)16-21(26)3)13-15-27(28)31-19-24-10-7-9-23-8-5-6-11-25(23)24/h5-18H,4,19H2,1-3H3/b29-18+
InChIKeyBACLCCHJCGEFRX-RDRPBHBLSA-N
XLogP7.18
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 4109953
2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126347735
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630747
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 132913572
N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217246
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126216101
1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
CID 126220598
1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219557
N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 1272184
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4519852

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine (CID 126205495) is N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine is CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc2ccccc12.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The InChIKey is BACLCCHJCGEFRX-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H27NO2/c1-4-30-28-17-22(18-29-26-14-12-20(2)16-21(26)3)13-15-27(28)31-19-24-10-7-9-23-8-5-6-11-25(23)24/h5-18H,4,19H2,1-3H3/b29-18+.
What are the key properties of N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine has a molecular weight of 409.53 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine is sourced from PubChem (CID 126205495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).