2-amino-3,4,5-tri(propan-2-yl)phenol

C15H25NO — CID 134347284

IUPAC2-amino-3,4,5-tri(propan-2-yl)phenol
SMILESCC(C)c1cc(O)c(N)c(C(C)C)c1C(C)C
InChIInChI=1S/C15H25NO/c1-8(2)11-7-12(17)15(16)14(10(5)6)13(11)9(3)4/h7-10,17H,16H2,1-6H3
InChIKeyISKOTHPWONWVFZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.34
Rot. Bonds3

About 2-amino-3,4,5-tri(propan-2-yl)phenol

2-amino-3,4,5-tri(propan-2-yl)phenol (PubChem CID 134347284) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-amino-3,4,5-tri(propan-2-yl)phenol.

Molecular Properties

Compound Name2-amino-3,4,5-tri(propan-2-yl)phenol
PubChem CID134347284
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-amino-3,4,5-tri(propan-2-yl)phenol
SMILESCC(C)c1cc(O)c(N)c(C(C)C)c1C(C)C
InChIInChI=1S/C15H25NO/c1-8(2)11-7-12(17)15(16)14(10(5)6)13(11)9(3)4/h7-10,17H,16H2,1-6H3
InChIKeyISKOTHPWONWVFZ-UHFFFAOYSA-N
XLogP4.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,4,5-tri(propan-2-yl)benzenethiol
CID 134347258
4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol
CID 175217725
2-amino-3,4,5,6-tetra(propan-2-yl)phenol
CID 134347259
1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
CID 54148027
3-phenyl-4,5-di(propan-2-yl)benzene-1,2-diol
CID 88710522
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
3,4-dimethyl-2,5-di(propan-2-yl)aniline
CID 19747078
4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
5-bromo-2-propan-2-ylbenzene-1,3-diol
CID 19910498
butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol
CID 142271065

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,5-tri(propan-2-yl)phenol?
The IUPAC name of 2-amino-3,4,5-tri(propan-2-yl)phenol (CID 134347284) is 2-amino-3,4,5-tri(propan-2-yl)phenol.
What is the SMILES notation for 2-amino-3,4,5-tri(propan-2-yl)phenol?
The canonical SMILES for 2-amino-3,4,5-tri(propan-2-yl)phenol is CC(C)c1cc(O)c(N)c(C(C)C)c1C(C)C.
What is the InChIKey of 2-amino-3,4,5-tri(propan-2-yl)phenol?
The InChIKey is ISKOTHPWONWVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-8(2)11-7-12(17)15(16)14(10(5)6)13(11)9(3)4/h7-10,17H,16H2,1-6H3.
What are the key properties of 2-amino-3,4,5-tri(propan-2-yl)phenol?
2-amino-3,4,5-tri(propan-2-yl)phenol has a molecular weight of 235.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,5-tri(propan-2-yl)phenol is sourced from PubChem (CID 134347284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).