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

C11H17NO — CID 19863682

IUPAC3-(3-amino-3-methylbutyl)phenol
SMILESCC(C)(N)CCc1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-11(2,12)7-6-9-4-3-5-10(13)8-9/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyAOHDATCIQUENTN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.06
Rot. Bonds3

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

3-(3-amino-3-methylbutyl)phenol (PubChem CID 19863682) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(3-amino-3-methylbutyl)phenol.

Molecular Properties

Compound Name3-(3-amino-3-methylbutyl)phenol
PubChem CID19863682
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(3-amino-3-methylbutyl)phenol
SMILESCC(C)(N)CCc1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-11(2,12)7-6-9-4-3-5-10(13)8-9/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyAOHDATCIQUENTN-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

3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine
CID 116992656
3-(2-aminooxyethyl)phenol
CID 83479668
phenol;3-propylphenol
CID 66960022
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
3-(2-aminoethyl)phenol;thiourea
CID 159787139
3-(2-amino-2-piperazin-1-ylpropyl)phenol
CID 84748340

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-methylbutyl)phenol?
The IUPAC name of 3-(3-amino-3-methylbutyl)phenol (CID 19863682) is 3-(3-amino-3-methylbutyl)phenol.
What is the SMILES notation for 3-(3-amino-3-methylbutyl)phenol?
The canonical SMILES for 3-(3-amino-3-methylbutyl)phenol is CC(C)(N)CCc1cccc(O)c1.
What is the InChIKey of 3-(3-amino-3-methylbutyl)phenol?
The InChIKey is AOHDATCIQUENTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,12)7-6-9-4-3-5-10(13)8-9/h3-5,8,13H,6-7,12H2,1-2H3.
What are the key properties of 3-(3-amino-3-methylbutyl)phenol?
3-(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 3-(3-amino-3-methylbutyl)phenol is sourced from PubChem (CID 19863682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).