azane;2,4,6-tri(propan-2-yl)phenol

C15H33N3O — CID 174814858

IUPACazane;2,4,6-tri(propan-2-yl)phenol
SMILESCC(C)c1cc(C(C)C)c(O)c(C(C)C)c1.N.N.N
InChIInChI=1S/C15H24O.3H3N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;;;/h7-11,16H,1-6H3;3*1H3
InChIKeyIXRKTRPDIFFGEL-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.25
Rot. Bonds3

About azane;2,4,6-tri(propan-2-yl)phenol

azane;2,4,6-tri(propan-2-yl)phenol (PubChem CID 174814858) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is azane;2,4,6-tri(propan-2-yl)phenol.

Molecular Properties

Compound Nameazane;2,4,6-tri(propan-2-yl)phenol
PubChem CID174814858
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Nameazane;2,4,6-tri(propan-2-yl)phenol
SMILESCC(C)c1cc(C(C)C)c(O)c(C(C)C)c1.N.N.N
InChIInChI=1S/C15H24O.3H3N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;;;/h7-11,16H,1-6H3;3*1H3
InChIKeyIXRKTRPDIFFGEL-UHFFFAOYSA-N
XLogP5.25
TPSA125.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hexan-2-yl-4,6-di(propan-2-yl)phenol
CID 154085005
2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
chromium;bis(2-hydroxy-3,5-di(propan-2-yl)benzoic acid);hydrate
CID 11979740
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
2-bromo-3,5-di(propan-2-yl)phenol
CID 11550631
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
2,4-di(propan-2-yl)phenol
CID 18048
bis[2,4,6-tri(propan-2-yl)phenyl]borinic acid
CID 139174643
2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide
CID 21119514
2,6-di(propan-2-yl)-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenol
CID 143028560

Frequently Asked Questions

What is the IUPAC name of azane;2,4,6-tri(propan-2-yl)phenol?
The IUPAC name of azane;2,4,6-tri(propan-2-yl)phenol (CID 174814858) is azane;2,4,6-tri(propan-2-yl)phenol.
What is the SMILES notation for azane;2,4,6-tri(propan-2-yl)phenol?
The canonical SMILES for azane;2,4,6-tri(propan-2-yl)phenol is CC(C)c1cc(C(C)C)c(O)c(C(C)C)c1.N.N.N.
What is the InChIKey of azane;2,4,6-tri(propan-2-yl)phenol?
The InChIKey is IXRKTRPDIFFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.3H3N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;;;/h7-11,16H,1-6H3;3*1H3.
What are the key properties of azane;2,4,6-tri(propan-2-yl)phenol?
azane;2,4,6-tri(propan-2-yl)phenol has a molecular weight of 271.45 g/mol, XLogP of 5.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,4,6-tri(propan-2-yl)phenol is sourced from PubChem (CID 174814858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).