4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol

C12H19NO — CID 117111890

IUPAC4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
SMILESCc1cc(C(C)(C)N)c(C)c(C)c1O
InChIInChI=1S/C12H19NO/c1-7-6-10(12(4,5)13)8(2)9(3)11(7)14/h6,14H,13H2,1-5H3
InChIKeyPELWQAMPQPJXNV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol

4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol (PubChem CID 117111890) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
PubChem CID117111890
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
SMILESCc1cc(C(C)(C)N)c(C)c(C)c1O
InChIInChI=1S/C12H19NO/c1-7-6-10(12(4,5)13)8(2)9(3)11(7)14/h6,14H,13H2,1-5H3
InChIKeyPELWQAMPQPJXNV-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol?
The IUPAC name of 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol (CID 117111890) is 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol is Cc1cc(C(C)(C)N)c(C)c(C)c1O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol?
The InChIKey is PELWQAMPQPJXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-6-10(12(4,5)13)8(2)9(3)11(7)14/h6,14H,13H2,1-5H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol?
4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol is sourced from PubChem (CID 117111890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).