2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol

C14H23NO — CID 82977801

IUPAC2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol
SMILESCc1cc(CN(C)CC(C)C)cc(C)c1O
InChIInChI=1S/C14H23NO/c1-10(2)8-15(5)9-13-6-11(3)14(16)12(4)7-13/h6-7,10,16H,8-9H2,1-5H3
InChIKeyYYGGRLUJBQRCSE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.10
Rot. Bonds4

About 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol

2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol (PubChem CID 82977801) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol
PubChem CID82977801
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol
SMILESCc1cc(CN(C)CC(C)C)cc(C)c1O
InChIInChI=1S/C14H23NO/c1-10(2)8-15(5)9-13-6-11(3)14(16)12(4)7-13/h6-7,10,16H,8-9H2,1-5H3
InChIKeyYYGGRLUJBQRCSE-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78913304
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43272233
2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977021
4-(diethylaminomethyl)-2,6-dimethylphenol
CID 15576438
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
CID 59073565
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
CID 115596591
2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82976727
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 113219780
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 82981135
4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 115279600

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol (CID 82977801) is 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol is Cc1cc(CN(C)CC(C)C)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The InChIKey is YYGGRLUJBQRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)8-15(5)9-13-6-11(3)14(16)12(4)7-13/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 82977801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).