2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol

C14H23NO2 — CID 111466606

IUPAC2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
SMILESCCC(C)(CO)NCc1cc(C)c(C)cc1O
InChIInChI=1S/C14H23NO2/c1-5-14(4,9-16)15-8-12-6-10(2)11(3)7-13(12)17/h6-7,15-17H,5,8-9H2,1-4H3
InChIKeyKVEWMXWODWNSLP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.26
Rot. Bonds5

About 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol

2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol (PubChem CID 111466606) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
PubChem CID111466606
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
SMILESCCC(C)(CO)NCc1cc(C)c(C)cc1O
InChIInChI=1S/C14H23NO2/c1-5-14(4,9-16)15-8-12-6-10(2)11(3)7-13(12)17/h6-7,15-17H,5,8-9H2,1-4H3
InChIKeyKVEWMXWODWNSLP-UHFFFAOYSA-N
XLogP2.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.26
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

Salbutamol
CID 2083
(-)-Salbutamol
CID 123600
MK-4815
CID 10354063
2-{[Bis(2-hydroxyethyl)amino]methyl}-4,6-di-tert-butylphenol
CID 747392
5-Indanol, 6-((3-methylmorpholino)methyl)-
CID 3064218
2-(Diethylaminomethyl)-3,6-dimethylphenol
CID 246662
Phenol, 2,5-dimethyl-4-(4-morpholinylmethyl)-, hydrochloride (1:1)
CID 118512
Ethanol, 2-[(2-hydroxy-3-phenylbenzyl)amino]-
CID 223211
1-[(Cyclohexylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 44531318
1-[(Octylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44531480
4-(1-Hydroxy-2-(2-methyl-1-o-tolylpropan-2-ylamino)ethyl)-2-(hydroxymethyl)phenol
CID 45483830
4-[2-(Tert-butylamino)-1-hydroxyethyl]-2-(1-hydroxyethyl)phenol
CID 12369020

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol?
The IUPAC name of 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol (CID 111466606) is 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol?
The canonical SMILES for 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol is CCC(C)(CO)NCc1cc(C)c(C)cc1O.
What is the InChIKey of 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol?
The InChIKey is KVEWMXWODWNSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-14(4,9-16)15-8-12-6-10(2)11(3)7-13(12)17/h6-7,15-17H,5,8-9H2,1-4H3.
What are the key properties of 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol?
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol has a molecular weight of 237.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol is sourced from PubChem (CID 111466606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).