2-amino-3,4,5,6-tetra(propan-2-yl)phenol

C18H31NO — CID 134347259

IUPAC2-amino-3,4,5,6-tetra(propan-2-yl)phenol
SMILESCC(C)c1c(N)c(O)c(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C18H31NO/c1-9(2)13-14(10(3)4)16(12(7)8)18(20)17(19)15(13)11(5)6/h9-12,20H,19H2,1-8H3
InChIKeyWNZPIPXFNYGFJZ-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.47
Rot. Bonds4

About 2-amino-3,4,5,6-tetra(propan-2-yl)phenol

2-amino-3,4,5,6-tetra(propan-2-yl)phenol (PubChem CID 134347259) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-amino-3,4,5,6-tetra(propan-2-yl)phenol.

Molecular Properties

Compound Name2-amino-3,4,5,6-tetra(propan-2-yl)phenol
PubChem CID134347259
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-amino-3,4,5,6-tetra(propan-2-yl)phenol
SMILESCC(C)c1c(N)c(O)c(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C18H31NO/c1-9(2)13-14(10(3)4)16(12(7)8)18(20)17(19)15(13)11(5)6/h9-12,20H,19H2,1-8H3
InChIKeyWNZPIPXFNYGFJZ-UHFFFAOYSA-N
XLogP5.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.47
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)phenol
CID 134347284
2-methyl-3,5,6-tri(propan-2-yl)benzene-1,4-diol
CID 139946373
4,6-dimethyl-5-propan-2-ylbenzene-1,2,3-triol
CID 87849370
3,4,5-trichloro-2,6-di(propan-2-yl)aniline
CID 141053137
3-propan-2-ylbenzene-1,2,4-triamine
CID 66850331
2-amino-3,4,5-tri(propan-2-yl)benzenethiol
CID 134347258
7-amino-8-propan-2-ylnaphthalen-2-ol
CID 115057677
3,6-dichloro-2-propan-2-ylaniline
CID 21336280
6-aminobenzene-1,2,3,4,5-pentol
CID 130443728
2,4,6-trimethyl-3-propan-2-ylaniline
CID 121008425
2-amino-4-chloro-5,7-di(propan-2-yl)-1,3-benzothiazol-6-ol
CID 14700255
2,3,4-trichloro-6-fluoro-5-propan-2-ylphenol
CID 156531016

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,5,6-tetra(propan-2-yl)phenol?
The IUPAC name of 2-amino-3,4,5,6-tetra(propan-2-yl)phenol (CID 134347259) is 2-amino-3,4,5,6-tetra(propan-2-yl)phenol.
What is the SMILES notation for 2-amino-3,4,5,6-tetra(propan-2-yl)phenol?
The canonical SMILES for 2-amino-3,4,5,6-tetra(propan-2-yl)phenol is CC(C)c1c(N)c(O)c(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of 2-amino-3,4,5,6-tetra(propan-2-yl)phenol?
The InChIKey is WNZPIPXFNYGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-9(2)13-14(10(3)4)16(12(7)8)18(20)17(19)15(13)11(5)6/h9-12,20H,19H2,1-8H3.
What are the key properties of 2-amino-3,4,5,6-tetra(propan-2-yl)phenol?
2-amino-3,4,5,6-tetra(propan-2-yl)phenol has a molecular weight of 277.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,5,6-tetra(propan-2-yl)phenol is sourced from PubChem (CID 134347259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).