2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol

C14H21NO2 — CID 112553432

IUPAC2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESCc1cccc(CN(C)CC2CCCO2)c1O
InChIInChI=1S/C14H21NO2/c1-11-5-3-6-12(14(11)16)9-15(2)10-13-7-4-8-17-13/h3,5-6,13,16H,4,7-10H2,1-2H3
InChIKeyUYUXAZAGYLDULB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol

2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol (PubChem CID 112553432) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
PubChem CID112553432
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESCc1cccc(CN(C)CC2CCCO2)c1O
InChIInChI=1S/C14H21NO2/c1-11-5-3-6-12(14(11)16)9-15(2)10-13-7-4-8-17-13/h3,5-6,13,16H,4,7-10H2,1-2H3
InChIKeyUYUXAZAGYLDULB-UHFFFAOYSA-N
XLogP2.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557383
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82981600
1-[5-fluoro-2-hydroxy-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 61431961
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985
3-fluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 63331273
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol (CID 112553432) is 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol is Cc1cccc(CN(C)CC2CCCO2)c1O.
What is the InChIKey of 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The InChIKey is UYUXAZAGYLDULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-3-6-12(14(11)16)9-15(2)10-13-7-4-8-17-13/h3,5-6,13,16H,4,7-10H2,1-2H3.
What are the key properties of 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 112553432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).