2-(3-amino-3-methylbutyl)phenol

C11H17NO — CID 19863683

IUPAC2-(3-amino-3-methylbutyl)phenol
SMILESCC(C)(N)CCc1ccccc1O
InChIInChI=1S/C11H17NO/c1-11(2,12)8-7-9-5-3-4-6-10(9)13/h3-6,13H,7-8,12H2,1-2H3
InChIKeyXMQUKAOTOKYLFL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-amino-3-methylbutyl)phenol

2-(3-amino-3-methylbutyl)phenol (PubChem CID 19863683) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3-amino-3-methylbutyl)phenol.

Molecular Properties

Compound Name2-(3-amino-3-methylbutyl)phenol
PubChem CID19863683
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3-amino-3-methylbutyl)phenol
SMILESCC(C)(N)CCc1ccccc1O
InChIInChI=1S/C11H17NO/c1-11(2,12)8-7-9-5-3-4-6-10(9)13/h3-6,13H,7-8,12H2,1-2H3
InChIKeyXMQUKAOTOKYLFL-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-2-methylpropyl)phenol
CID 22723438
2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol
CID 105464121
CID 175749710
CID 175749710
methyl 4-(2-hydroxyphenyl)-2,2-dimethylbutanoate
CID 146319114
3-(3-amino-3-methylbutyl)phenol
CID 19863682
2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol
CID 106185668
2-[3-(3-amino-3-methylbutyl)-2-phenylphenyl]acetonitrile
CID 125496428
2-methyl-5-naphthalen-1-ylpentan-2-amine
CID 116925299
2-(2-aminooxy-2-methylpropyl)phenol
CID 117104866
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol
CID 67532608
2-[2-(2-amino-3-methylphenyl)ethyl]phenol
CID 174546991
2-decylphenol;hydrazine
CID 159983030

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-methylbutyl)phenol?
The IUPAC name of 2-(3-amino-3-methylbutyl)phenol (CID 19863683) is 2-(3-amino-3-methylbutyl)phenol.
What is the SMILES notation for 2-(3-amino-3-methylbutyl)phenol?
The canonical SMILES for 2-(3-amino-3-methylbutyl)phenol is CC(C)(N)CCc1ccccc1O.
What is the InChIKey of 2-(3-amino-3-methylbutyl)phenol?
The InChIKey is XMQUKAOTOKYLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,12)8-7-9-5-3-4-6-10(9)13/h3-6,13H,7-8,12H2,1-2H3.
What are the key properties of 2-(3-amino-3-methylbutyl)phenol?
2-(3-amino-3-methylbutyl)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylbutyl)phenol is sourced from PubChem (CID 19863683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).