2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol

C13H21NO2 — CID 106185668

IUPAC2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol
SMILESCC(C)(O)C(C)(C)NCc1ccccc1O
InChIInChI=1S/C13H21NO2/c1-12(2,13(3,4)16)14-9-10-7-5-6-8-11(10)15/h5-8,14-16H,9H2,1-4H3
InChIKeySCSPQGONXRTUPF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds4

About 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol

2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol (PubChem CID 106185668) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol
PubChem CID106185668
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol
SMILESCC(C)(O)C(C)(C)NCc1ccccc1O
InChIInChI=1S/C13H21NO2/c1-12(2,13(3,4)16)14-9-10-7-5-6-8-11(10)15/h5-8,14-16H,9H2,1-4H3
InChIKeySCSPQGONXRTUPF-UHFFFAOYSA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methylpentan-3-ylamino)methyl]phenol
CID 115630759
2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol
CID 174179021
3-(1,3-benzodioxol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 114155406
3-[(2-bromo-3-nitrophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 106189932
3-[(4-bromo-2-fluorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911918
2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol
CID 103529754
2-(ethylaminomethyl)phenol
CID 12995218
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 103952707
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
2-(3-amino-3-methylbutyl)phenol
CID 19863683
N-[(2-hydroxyphenyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 113240012

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol (CID 106185668) is 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol is CC(C)(O)C(C)(C)NCc1ccccc1O.
What is the InChIKey of 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol?
The InChIKey is SCSPQGONXRTUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12(2,13(3,4)16)14-9-10-7-5-6-8-11(10)15/h5-8,14-16H,9H2,1-4H3.
What are the key properties of 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol?
2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 106185668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).