4-(4-amino-4-methylpentan-2-yl)phenol

C12H19NO — CID 83907598

IUPAC4-(4-amino-4-methylpentan-2-yl)phenol
SMILESCC(CC(C)(C)N)c1ccc(O)cc1
InChIInChI=1S/C12H19NO/c1-9(8-12(2,3)13)10-4-6-11(14)7-5-10/h4-7,9,14H,8,13H2,1-3H3
InChIKeyHHUZJQOSTGWWDZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.62
Rot. Bonds3

About 4-(4-amino-4-methylpentan-2-yl)phenol

4-(4-amino-4-methylpentan-2-yl)phenol (PubChem CID 83907598) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(4-amino-4-methylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-(4-amino-4-methylpentan-2-yl)phenol
PubChem CID83907598
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(4-amino-4-methylpentan-2-yl)phenol
SMILESCC(CC(C)(C)N)c1ccc(O)cc1
InChIInChI=1S/C12H19NO/c1-9(8-12(2,3)13)10-4-6-11(14)7-5-10/h4-7,9,14H,8,13H2,1-3H3
InChIKeyHHUZJQOSTGWWDZ-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-2-methylpentan-2-amine
CID 83907847
4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
CID 130368070
4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol
CID 163467451
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
4-hept-4-yn-2-ylphenol
CID 83930417
4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
CID 151615052
2-methyl-4-(4-methylphenyl)pentan-2-ol
CID 11041610
(4R)-4-(4-hydroxyphenyl)pentan-2-one
CID 157310522
4-(4,6-dimethylheptan-2-yl)phenol
CID 6427088
4-hexan-2-ylphenol
CID 12579179
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-methylpentan-2-yl)phenol?
The IUPAC name of 4-(4-amino-4-methylpentan-2-yl)phenol (CID 83907598) is 4-(4-amino-4-methylpentan-2-yl)phenol.
What is the SMILES notation for 4-(4-amino-4-methylpentan-2-yl)phenol?
The canonical SMILES for 4-(4-amino-4-methylpentan-2-yl)phenol is CC(CC(C)(C)N)c1ccc(O)cc1.
What is the InChIKey of 4-(4-amino-4-methylpentan-2-yl)phenol?
The InChIKey is HHUZJQOSTGWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(8-12(2,3)13)10-4-6-11(14)7-5-10/h4-7,9,14H,8,13H2,1-3H3.
What are the key properties of 4-(4-amino-4-methylpentan-2-yl)phenol?
4-(4-amino-4-methylpentan-2-yl)phenol has a molecular weight of 193.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-methylpentan-2-yl)phenol is sourced from PubChem (CID 83907598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).