2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol

C25H29NO2 — CID 139892150

IUPAC2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol
SMILESCc1cc(C)c(C(c2ccccc2N)c2c(C)cc(C)c(C)c2O)c(O)c1C
InChIInChI=1S/C25H29NO2/c1-13-11-15(3)21(24(27)17(13)5)23(19-9-7-8-10-20(19)26)22-16(4)12-14(2)18(6)25(22)28/h7-12,23,27-28H,26H2,1-6H3
InChIKeyLFVVNCUEPGNXBB-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.71
Rot. Bonds3

About 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol

2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol (PubChem CID 139892150) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol
PubChem CID139892150
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol
SMILESCc1cc(C)c(C(c2ccccc2N)c2c(C)cc(C)c(C)c2O)c(O)c1C
InChIInChI=1S/C25H29NO2/c1-13-11-15(3)21(24(27)17(13)5)23(19-9-7-8-10-20(19)26)22-16(4)12-14(2)18(6)25(22)28/h7-12,23,27-28H,26H2,1-6H3
InChIKeyLFVVNCUEPGNXBB-UHFFFAOYSA-N
XLogP5.71
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[bis(2-aminophenyl)methyl]phenol
CID 18365826
(2-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43095843
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
2-[(3-ethoxy-4-hydroxyphenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol
CID 22338915
(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 100803973
(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
CID 64832179
2-benzhydryl-6-methylphenol
CID 154120751
(2S,3S)-3-(2-aminophenyl)butan-2-ol
CID 131028904
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol?
The IUPAC name of 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol (CID 139892150) is 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol.
What is the SMILES notation for 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol?
The canonical SMILES for 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol is Cc1cc(C)c(C(c2ccccc2N)c2c(C)cc(C)c(C)c2O)c(O)c1C.
What is the InChIKey of 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol?
The InChIKey is LFVVNCUEPGNXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-13-11-15(3)21(24(27)17(13)5)23(19-9-7-8-10-20(19)26)22-16(4)12-14(2)18(6)25(22)28/h7-12,23,27-28H,26H2,1-6H3.
What are the key properties of 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol?
2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol has a molecular weight of 375.51 g/mol, XLogP of 5.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol is sourced from PubChem (CID 139892150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).