4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol

C13H21NO2 — CID 115978599

IUPAC4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
SMILESCC(C)C(C)(O)CNCc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)13(3,16)9-14-8-11-4-6-12(15)7-5-11/h4-7,10,14-16H,8-9H2,1-3H3
InChIKeyPLQNHHPYINZZAR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.89
Rot. Bonds5

About 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol

4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol (PubChem CID 115978599) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
PubChem CID115978599
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
SMILESCC(C)C(C)(O)CNCc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)13(3,16)9-14-8-11-4-6-12(15)7-5-11/h4-7,10,14-16H,8-9H2,1-3H3
InChIKeyPLQNHHPYINZZAR-UHFFFAOYSA-N
XLogP1.89
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 111118557
2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid
CID 114331776
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol
CID 115715682
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2,3-dimethylbutan-2-ol
CID 111466769
1-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111118565
2,3-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 114497087
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118505
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
CID 163373715

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol (CID 115978599) is 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol is CC(C)C(C)(O)CNCc1ccc(O)cc1.
What is the InChIKey of 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol?
The InChIKey is PLQNHHPYINZZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)13(3,16)9-14-8-11-4-6-12(15)7-5-11/h4-7,10,14-16H,8-9H2,1-3H3.
What are the key properties of 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol?
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol is sourced from PubChem (CID 115978599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).