N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline

C28H26N2O2 — CID 4117636

IUPACN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
SMILESCc1ccccc1NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C28H26N2O2/c1-22-10-8-9-15-26(22)30-29-19-25-16-17-27(31-20-23-11-4-2-5-12-23)28(18-25)32-21-24-13-6-3-7-14-24/h2-19,30H,20-21H2,1H3
InChIKeyDTINSSKQUQLQNS-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.60
Rot. Bonds9

About N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline

N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline (PubChem CID 4117636) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline.

Molecular Properties

Compound NameN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
PubChem CID4117636
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC NameN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
SMILESCc1ccccc1NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C28H26N2O2/c1-22-10-8-9-15-26(22)30-29-19-25-16-17-27(31-20-23-11-4-2-5-12-23)28(18-25)32-21-24-13-6-3-7-14-24/h2-19,30H,20-21H2,1H3
InChIKeyDTINSSKQUQLQNS-UHFFFAOYSA-N
XLogP6.60
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.60
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-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitroaniline
CID 6186932
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
CID 9014773
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine
CID 6845161
2-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110340022
3-[(2E)-2-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136733363
1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 110532874
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline?
The IUPAC name of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline (CID 4117636) is N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline.
What is the SMILES notation for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline?
The canonical SMILES for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline is Cc1ccccc1NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline?
The InChIKey is DTINSSKQUQLQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-22-10-8-9-15-26(22)30-29-19-25-16-17-27(31-20-23-11-4-2-5-12-23)28(18-25)32-21-24-13-6-3-7-14-24/h2-19,30H,20-21H2,1H3.
What are the key properties of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline?
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline has a molecular weight of 422.53 g/mol, XLogP of 6.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline is sourced from PubChem (CID 4117636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).