4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol

C25H30N2O — CID 59364765

IUPAC4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol
SMILESCCc1cc(Cc2ccc(NC(C)c3ccc(O)cc3)c(CC)c2)ccc1N
InChIInChI=1S/C25H30N2O/c1-4-20-15-18(6-12-24(20)26)14-19-7-13-25(21(5-2)16-19)27-17(3)22-8-10-23(28)11-9-22/h6-13,15-17,27-28H,4-5,14,26H2,1-3H3
InChIKeyJXPISEHOPVUDHP-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.86
Rot. Bonds7

About 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol

4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol (PubChem CID 59364765) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol
PubChem CID59364765
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol
SMILESCCc1cc(Cc2ccc(NC(C)c3ccc(O)cc3)c(CC)c2)ccc1N
InChIInChI=1S/C25H30N2O/c1-4-20-15-18(6-12-24(20)26)14-19-7-13-25(21(5-2)16-19)27-17(3)22-8-10-23(28)11-9-22/h6-13,15-17,27-28H,4-5,14,26H2,1-3H3
InChIKeyJXPISEHOPVUDHP-UHFFFAOYSA-N
XLogP5.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]butyl]phenol
CID 59364811
2-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol
CID 59364759
4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2-ethyl-6-propan-2-ylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol;4-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol;4-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol
CID 160738540
4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
CID 22061774
4-[[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylphenyl]iminomethyl]phenol
CID 135997102
4-[1-[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]propyl]phenol
CID 59364779
2-[[4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilino]methyl]phenol;4-[1-[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]ethyl]benzene-1,3-diol;2-[[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]methyl]phenol;4-[1-[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]ethyl]benzene-1,3-diol;2-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol;4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]benzene-1,3-diol;2-[[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]methyl]phenol
CID 157162125
4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
4-[1-(2-methyl-4-nitroanilino)ethyl]phenol
CID 43719950
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
4-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-ethylaniline
CID 81287491
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol?
The IUPAC name of 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol (CID 59364765) is 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol.
What is the SMILES notation for 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol?
The canonical SMILES for 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol is CCc1cc(Cc2ccc(NC(C)c3ccc(O)cc3)c(CC)c2)ccc1N.
What is the InChIKey of 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol?
The InChIKey is JXPISEHOPVUDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-20-15-18(6-12-24(20)26)14-19-7-13-25(21(5-2)16-19)27-17(3)22-8-10-23(28)11-9-22/h6-13,15-17,27-28H,4-5,14,26H2,1-3H3.
What are the key properties of 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol?
4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol has a molecular weight of 374.53 g/mol, XLogP of 5.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]ethyl]phenol is sourced from PubChem (CID 59364765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).