3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol

C11H17NO — CID 130692005

IUPAC3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol
SMILESCN[C@@H](C)c1c(C)ccc(C)c1O
InChIInChI=1S/C11H17NO/c1-7-5-6-8(2)11(13)10(7)9(3)12-4/h5-6,9,12-13H,1-4H3/t9-/m0/s1
InChIKeyOXAPLKMUHRXULF-VIFPVBQESA-N
MW179.26 g/mol
LogP2.29
Rot. Bonds2

About 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol

3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol (PubChem CID 130692005) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol
PubChem CID130692005
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol
SMILESCN[C@@H](C)c1c(C)ccc(C)c1O
InChIInChI=1S/C11H17NO/c1-7-5-6-8(2)11(13)10(7)9(3)12-4/h5-6,9,12-13H,1-4H3/t9-/m0/s1
InChIKeyOXAPLKMUHRXULF-VIFPVBQESA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
CID 130059979
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol
CID 117288033
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
4-hydroxy-6-methyl-3-[(1S)-1-(methylamino)ethyl]-1H-pyridin-2-one
CID 130631562
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861
2,3-bis(1-hydroxyethyl)-4-methylphenol
CID 22486739
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
2-chloro-3,6-dimethylphenol;ethane
CID 144511181

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol?
The IUPAC name of 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol (CID 130692005) is 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol.
What is the SMILES notation for 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol?
The canonical SMILES for 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol is CN[C@@H](C)c1c(C)ccc(C)c1O.
What is the InChIKey of 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol?
The InChIKey is OXAPLKMUHRXULF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO/c1-7-5-6-8(2)11(13)10(7)9(3)12-4/h5-6,9,12-13H,1-4H3/t9-/m0/s1.
What are the key properties of 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol?
3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol has a molecular weight of 179.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol is sourced from PubChem (CID 130692005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).