4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol

C21H30N2O2 — CID 87414079

IUPAC4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol
SMILESCNc1c(C)c(C(C)(C)c2cc(C)c(O)c(NC)c2C)cc(C)c1O
InChIInChI=1S/C21H30N2O2/c1-11-9-15(13(3)17(22-7)19(11)24)21(5,6)16-10-12(2)20(25)18(23-8)14(16)4/h9-10,22-25H,1-8H3
InChIKeyJXESWDJOOSJFSU-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol

4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol (PubChem CID 87414079) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol.

Molecular Properties

Compound Name4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol
PubChem CID87414079
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol
SMILESCNc1c(C)c(C(C)(C)c2cc(C)c(O)c(NC)c2C)cc(C)c1O
InChIInChI=1S/C21H30N2O2/c1-11-9-15(13(3)17(22-7)19(11)24)21(5,6)16-10-12(2)20(25)18(23-8)14(16)4/h9-10,22-25H,1-8H3
InChIKeyJXESWDJOOSJFSU-UHFFFAOYSA-N
XLogP4.74
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
CID 117113905
4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
CID 117111890
1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
CID 21350453
6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol
CID 20574810
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-tris(methylamino)phenyl]methyl]-2,6-ditert-butylphenol
CID 174668759
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine
CID 23282271
6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol
CID 139903440
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426
2-tert-butyl-4,6-dimethylphenol
CID 87814182
4-amino-2,6-ditert-butyl-3,5-dimethylphenol;2-tert-butyl-5-methyl-4-(methylamino)phenol;2,6-ditert-butyl-3,5-dimethyl-4-(methylamino)phenol;ethane
CID 123162760
3-tert-butyl-2,5-dimethylbenzene-1,4-diol
CID 58864787
4-(2-aminopropan-2-yl)-2,6-dimethylphenol
CID 23620728

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol?
The IUPAC name of 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol (CID 87414079) is 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol.
What is the SMILES notation for 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol?
The canonical SMILES for 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol is CNc1c(C)c(C(C)(C)c2cc(C)c(O)c(NC)c2C)cc(C)c1O.
What is the InChIKey of 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol?
The InChIKey is JXESWDJOOSJFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-11-9-15(13(3)17(22-7)19(11)24)21(5,6)16-10-12(2)20(25)18(23-8)14(16)4/h9-10,22-25H,1-8H3.
What are the key properties of 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol?
4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol has a molecular weight of 342.48 g/mol, XLogP of 4.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-hydroxy-2,5-dimethyl-3-(methylamino)phenyl]propan-2-yl]-3,6-dimethyl-2-(methylamino)phenol is sourced from PubChem (CID 87414079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).