4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol

C24H26N2O — CID 135997102

IUPAC4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol
SMILESCCc1cc(Cc2ccc(/N=C/c3ccc(O)cc3)c(CC)c2)ccc1N
InChIInChI=1S/C24H26N2O/c1-3-20-14-18(7-11-23(20)25)13-19-8-12-24(21(4-2)15-19)26-16-17-5-9-22(27)10-6-17/h5-12,14-16,27H,3-4,13,25H2,1-2H3/b26-16+
InChIKeyJWVMEVUGUYKHOT-WGOQTCKBSA-N
MW358.49 g/mol
LogP5.44
Rot. Bonds6

About 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol

4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol (PubChem CID 135997102) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol
PubChem CID135997102
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol
SMILESCCc1cc(Cc2ccc(/N=C/c3ccc(O)cc3)c(CC)c2)ccc1N
InChIInChI=1S/C24H26N2O/c1-3-20-14-18(7-11-23(20)25)13-19-8-12-24(21(4-2)15-19)26-16-17-5-9-22(27)10-6-17/h5-12,14-16,27H,3-4,13,25H2,1-2H3/b26-16+
InChIKeyJWVMEVUGUYKHOT-WGOQTCKBSA-N
XLogP5.44
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
CID 22061774
4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]butyl]phenol
CID 59364811
4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol
CID 59364765
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 3085874
4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol
CID 135997123
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900
N-[2-chloro-4-[[3-chloro-4-[(4-chlorophenyl)methylideneamino]phenyl]methyl]phenyl]-1-(4-chlorophenyl)methanimine
CID 3571946
4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol
CID 138643424
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
2-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol
CID 59364759
4-[(4-aminophenyl)methyl]aniline;bis(4-ethylphenol)
CID 157077218

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol?
The IUPAC name of 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol (CID 135997102) is 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol is CCc1cc(Cc2ccc(/N=C/c3ccc(O)cc3)c(CC)c2)ccc1N.
What is the InChIKey of 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol?
The InChIKey is JWVMEVUGUYKHOT-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-20-14-18(7-11-23(20)25)13-19-8-12-24(21(4-2)15-19)26-16-17-5-9-22(27)10-6-17/h5-12,14-16,27H,3-4,13,25H2,1-2H3/b26-16+.
What are the key properties of 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol?
4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol has a molecular weight of 358.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol is sourced from PubChem (CID 135997102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).