2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol

C14H21NO2 — CID 115907787

IUPAC2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
SMILESCc1cccc(CNC(C)C2CCOC2)c1O
InChIInChI=1S/C14H21NO2/c1-10-4-3-5-12(14(10)16)8-15-11(2)13-6-7-17-9-13/h3-5,11,13,15-16H,6-9H2,1-2H3
InChIKeyNDLPHHMAKNRBAM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds4

About 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol

2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol (PubChem CID 115907787) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
PubChem CID115907787
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
SMILESCc1cccc(CNC(C)C2CCOC2)c1O
InChIInChI=1S/C14H21NO2/c1-10-4-3-5-12(14(10)16)8-15-11(2)13-6-7-17-9-13/h3-5,11,13,15-16H,6-9H2,1-2H3
InChIKeyNDLPHHMAKNRBAM-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
4-[[1-(oxolan-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953590
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
CID 113355725
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
CID 61390496
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 115890011
4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 104646424
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115660141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol (CID 115907787) is 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol is Cc1cccc(CNC(C)C2CCOC2)c1O.
What is the InChIKey of 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol?
The InChIKey is NDLPHHMAKNRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-3-5-12(14(10)16)8-15-11(2)13-6-7-17-9-13/h3-5,11,13,15-16H,6-9H2,1-2H3.
What are the key properties of 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol?
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 115907787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).