2,5-dimethyl-4-[2-(methylamino)ethyl]phenol

C11H17NO — CID 58911397

IUPAC2,5-dimethyl-4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(C)c(O)cc1C
InChIInChI=1S/C11H17NO/c1-8-7-11(13)9(2)6-10(8)4-5-12-3/h6-7,12-13H,4-5H2,1-3H3
InChIKeyWOQYYCNKMBZDBF-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.77
Rot. Bonds3

About 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol

2,5-dimethyl-4-[2-(methylamino)ethyl]phenol (PubChem CID 58911397) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-(methylamino)ethyl]phenol
PubChem CID58911397
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,5-dimethyl-4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(C)c(O)cc1C
InChIInChI=1S/C11H17NO/c1-8-7-11(13)9(2)6-10(8)4-5-12-3/h6-7,12-13H,4-5H2,1-3H3
InChIKeyWOQYYCNKMBZDBF-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
CID 71290543
4-fluoro-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83876237
4-[(2-hydroxyphenyl)methyl]-2,5-dimethylphenol
CID 18000570
4-ethyl-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83878535
4-[(4-hydroxy-2,5-dimethylphenyl)methyl]benzene-1,2,3-triol
CID 18366423
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
4-amino-5-[2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 90677984
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
CID 90702119
2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine
CID 117299568
4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925792
ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
CID 58566683
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol?
The IUPAC name of 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol (CID 58911397) is 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol is CNCCc1cc(C)c(O)cc1C.
What is the InChIKey of 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol?
The InChIKey is WOQYYCNKMBZDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-7-11(13)9(2)6-10(8)4-5-12-3/h6-7,12-13H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol?
2,5-dimethyl-4-[2-(methylamino)ethyl]phenol has a molecular weight of 179.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 58911397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).