N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine

C24H26N2O2 — CID 110839881

IUPACN-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
SMILESCCOc1cc(C=NNCc2ccccc2)ccc1OCc1ccccc1C
InChIInChI=1S/C24H26N2O2/c1-3-27-24-15-21(17-26-25-16-20-10-5-4-6-11-20)13-14-23(24)28-18-22-12-8-7-9-19(22)2/h4-15,17,25H,3,16,18H2,1-2H3
InChIKeyMWCJLLSJUQTXAE-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.10
Rot. Bonds9

About N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine

N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine (PubChem CID 110839881) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
PubChem CID110839881
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
SMILESCCOc1cc(C=NNCc2ccccc2)ccc1OCc1ccccc1C
InChIInChI=1S/C24H26N2O2/c1-3-27-24-15-21(17-26-25-16-20-10-5-4-6-11-20)13-14-23(24)28-18-22-12-8-7-9-19(22)2/h4-15,17,25H,3,16,18H2,1-2H3
InChIKeyMWCJLLSJUQTXAE-UHFFFAOYSA-N
XLogP5.10
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17246005
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 132913572
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110504955
1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine
CID 92658500
N'-[(E)-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 19658323
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
CID 4117636
1-[2-[(2Z)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 110338975
N-(3-chloro-4-methylphenyl)-N'-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3608430
2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 17245995

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine (CID 110839881) is N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine is CCOc1cc(C=NNCc2ccccc2)ccc1OCc1ccccc1C.
What is the InChIKey of N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The InChIKey is MWCJLLSJUQTXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-27-24-15-21(17-26-25-16-20-10-5-4-6-11-20)13-14-23(24)28-18-22-12-8-7-9-19(22)2/h4-15,17,25H,3,16,18H2,1-2H3.
What are the key properties of N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine has a molecular weight of 374.48 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 110839881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).