N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline

C25H28N2O2 — CID 169382404

IUPACN-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H28N2O2/c1-25(2,3)21-11-13-23(14-12-21)29-18-20-16-19(10-15-24(20)28-4)17-26-27-22-8-6-5-7-9-22/h5-17,27H,18H2,1-4H3
InChIKeyIROCCDADZXEOLF-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.02
Rot. Bonds7

About N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline

N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline (PubChem CID 169382404) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
PubChem CID169382404
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H28N2O2/c1-25(2,3)21-11-13-23(14-12-21)29-18-20-16-19(10-15-24(20)28-4)17-26-27-22-8-6-5-7-9-22/h5-17,27H,18H2,1-4H3
InChIKeyIROCCDADZXEOLF-UHFFFAOYSA-N
XLogP6.02
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.02
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-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 5348595
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
CID 169382362
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508917
3-[(4-tert-butylphenoxy)methyl]-4-methoxybenzaldehyde
CID 673672
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[4-[[2-methoxy-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]methoxy]phenyl]acetamide
CID 6880296
4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate
CID 7741451
N-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579506
2-[(2E)-2-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 19578665
N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 805851
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline (CID 169382404) is N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline is COc1ccc(C=NNc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline?
The InChIKey is IROCCDADZXEOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-25(2,3)21-11-13-23(14-12-21)29-18-20-16-19(10-15-24(20)28-4)17-26-27-22-8-6-5-7-9-22/h5-17,27H,18H2,1-4H3.
What are the key properties of N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline?
N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline has a molecular weight of 388.51 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 169382404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).