3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol

C13H21NO — CID 82977466

IUPAC3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
SMILESCC(C)C(C)N(C)Cc1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-10(2)11(3)14(4)9-12-6-5-7-13(15)8-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyADZCAGKPOKBRSD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.87
Rot. Bonds4

About 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol

3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol (PubChem CID 82977466) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
PubChem CID82977466
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
SMILESCC(C)C(C)N(C)Cc1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-10(2)11(3)14(4)9-12-6-5-7-13(15)8-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyADZCAGKPOKBRSD-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]boronic acid
CID 54971061
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-[3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54969600
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82976577
[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
CID 112631162
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol?
The IUPAC name of 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol (CID 82977466) is 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol is CC(C)C(C)N(C)Cc1cccc(O)c1.
What is the InChIKey of 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol?
The InChIKey is ADZCAGKPOKBRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)11(3)14(4)9-12-6-5-7-13(15)8-12/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol?
3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 82977466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).