4-[(1R)-1-amino-3-methylbutyl]phenol

C11H17NO — CID 130812675

IUPAC4-[(1R)-1-amino-3-methylbutyl]phenol
SMILESCC(C)C[C@@H](N)c1ccc(O)cc1
InChIInChI=1S/C11H17NO/c1-8(2)7-11(12)9-3-5-10(13)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3/t11-/m1/s1
InChIKeyAKPKZXVQICEHOJ-LLVKDONJSA-N
MW179.26 g/mol
LogP2.44
Rot. Bonds3

About 4-[(1R)-1-amino-3-methylbutyl]phenol

4-[(1R)-1-amino-3-methylbutyl]phenol (PubChem CID 130812675) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-methylbutyl]phenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-methylbutyl]phenol
PubChem CID130812675
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(1R)-1-amino-3-methylbutyl]phenol
SMILESCC(C)C[C@@H](N)c1ccc(O)cc1
InChIInChI=1S/C11H17NO/c1-8(2)7-11(12)9-3-5-10(13)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3/t11-/m1/s1
InChIKeyAKPKZXVQICEHOJ-LLVKDONJSA-N
XLogP2.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171217740
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
4-(3-methyl-1-sulfanylbutyl)phenol
CID 144560583
4-(1-chloro-3-methylbutyl)phenol
CID 175072121
4-(1-amino-3-methylbutyl)-2-bromophenol
CID 130825484
4-[(1S)-1,3-diaminopropyl]phenol
CID 130913331
4-(2-amino-4-methylpentyl)phenol
CID 62754924
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
4-(4,6-dimethylheptan-2-yl)phenol
CID 6427088

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-methylbutyl]phenol?
The IUPAC name of 4-[(1R)-1-amino-3-methylbutyl]phenol (CID 130812675) is 4-[(1R)-1-amino-3-methylbutyl]phenol.
What is the SMILES notation for 4-[(1R)-1-amino-3-methylbutyl]phenol?
The canonical SMILES for 4-[(1R)-1-amino-3-methylbutyl]phenol is CC(C)C[C@@H](N)c1ccc(O)cc1.
What is the InChIKey of 4-[(1R)-1-amino-3-methylbutyl]phenol?
The InChIKey is AKPKZXVQICEHOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)7-11(12)9-3-5-10(13)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3-methylbutyl]phenol?
4-[(1R)-1-amino-3-methylbutyl]phenol has a molecular weight of 179.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-methylbutyl]phenol is sourced from PubChem (CID 130812675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).