4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol

C13H21NO — CID 115715682

IUPAC4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol
SMILESCC(NCc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C13H21NO/c1-10(13(2,3)4)14-9-11-5-7-12(15)8-6-11/h5-8,10,14-15H,9H2,1-4H3
InChIKeyZGFOIIYPGBBMFN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds3

About 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol

4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol (PubChem CID 115715682) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol
PubChem CID115715682
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol
SMILESCC(NCc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C13H21NO/c1-10(13(2,3)4)14-9-11-5-7-12(15)8-6-11/h5-8,10,14-15H,9H2,1-4H3
InChIKeyZGFOIIYPGBBMFN-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]benzoic acid
CID 124594633
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol
CID 139924478
N-[(4-butoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827685
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 115978599
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol?
The IUPAC name of 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol (CID 115715682) is 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol?
The canonical SMILES for 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol is CC(NCc1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol?
The InChIKey is ZGFOIIYPGBBMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(13(2,3)4)14-9-11-5-7-12(15)8-6-11/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol?
4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol is sourced from PubChem (CID 115715682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).