3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol

C32H44N2O — CID 59364880

IUPAC3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(NCc3cccc(O)c3)c(C(C)C)c2)cc(C(C)C)c1N
InChIInChI=1S/C32H44N2O/c1-19(2)27-14-24(15-28(20(3)4)31(27)33)12-25-16-29(21(5)6)32(30(17-25)22(7)8)34-18-23-10-9-11-26(35)13-23/h9-11,13-17,19-22,34-35H,12,18,33H2,1-8H3
InChIKeyZPQJRSKWXWGLDJ-UHFFFAOYSA-N
MW472.72 g/mol
LogP8.67
Rot. Bonds9

About 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol

3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol (PubChem CID 59364880) has the molecular formula C32H44N2O and a molecular weight of 472.72 g/mol. Its IUPAC name is 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol
PubChem CID59364880
Molecular FormulaC32H44N2O
Molecular Weight472.72 g/mol
Exact Mass472.35
IUPAC Name3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(NCc3cccc(O)c3)c(C(C)C)c2)cc(C(C)C)c1N
InChIInChI=1S/C32H44N2O/c1-19(2)27-14-24(15-28(20(3)4)31(27)33)12-25-16-29(21(5)6)32(30(17-25)22(7)8)34-18-23-10-9-11-26(35)13-23/h9-11,13-17,19-22,34-35H,12,18,33H2,1-8H3
InChIKeyZPQJRSKWXWGLDJ-UHFFFAOYSA-N
XLogP8.67
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 58.67
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'}

Analyze 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]methyl]phenol
CID 59364838
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
2-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol
CID 59364866
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
4-[[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]methyl]phenol
CID 59364819
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol?
The IUPAC name of 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol (CID 59364880) is 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol.
What is the SMILES notation for 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol?
The canonical SMILES for 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol is CC(C)c1cc(Cc2cc(C(C)C)c(NCc3cccc(O)c3)c(C(C)C)c2)cc(C(C)C)c1N.
What is the InChIKey of 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol?
The InChIKey is ZPQJRSKWXWGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O/c1-19(2)27-14-24(15-28(20(3)4)31(27)33)12-25-16-29(21(5)6)32(30(17-25)22(7)8)34-18-23-10-9-11-26(35)13-23/h9-11,13-17,19-22,34-35H,12,18,33H2,1-8H3.
What are the key properties of 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol?
3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol has a molecular weight of 472.72 g/mol, XLogP of 8.67, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)anilino]methyl]phenol is sourced from PubChem (CID 59364880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).