4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol

C13H21NO2 — CID 151615052

IUPAC4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
SMILESCC(C)(C)CC(O)C(N)c1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-13(2,3)8-11(16)12(14)9-4-6-10(15)7-5-9/h4-7,11-12,15-16H,8,14H2,1-3H3
InChIKeyQNHVQOCYXGIZMG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.19
Rot. Bonds3

About 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol

4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol (PubChem CID 151615052) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol.

Molecular Properties

Compound Name4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
PubChem CID151615052
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
SMILESCC(C)(C)CC(O)C(N)c1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-13(2,3)8-11(16)12(14)9-4-6-10(15)7-5-9/h4-7,11-12,15-16H,8,14H2,1-3H3
InChIKeyQNHVQOCYXGIZMG-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1,2-diaminopropyl)phenol
CID 24841393
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
ditert-butyl 2-[amino-(4-hydroxyphenyl)methyl]propanedioate
CID 174570665
4-(4-amino-4-methylpentan-2-yl)phenol
CID 83907598
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162521
4-(1-amino-3,3-dimethylbutyl)aniline
CID 130042000

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol?
The IUPAC name of 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol (CID 151615052) is 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol.
What is the SMILES notation for 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol?
The canonical SMILES for 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol is CC(C)(C)CC(O)C(N)c1ccc(O)cc1.
What is the InChIKey of 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol?
The InChIKey is QNHVQOCYXGIZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)8-11(16)12(14)9-4-6-10(15)7-5-9/h4-7,11-12,15-16H,8,14H2,1-3H3.
What are the key properties of 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol?
4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol has a molecular weight of 223.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol is sourced from PubChem (CID 151615052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).