2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol

C16H26N2O2 — CID 82980200

IUPAC2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
SMILESCCOc1cccc(CN(C)CCN2CCCC2)c1O
InChIInChI=1S/C16H26N2O2/c1-3-20-15-8-6-7-14(16(15)19)13-17(2)11-12-18-9-4-5-10-18/h6-8,19H,3-5,9-13H2,1-2H3
InChIKeyZOATXPMTQDUHMF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds7

About 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol

2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol (PubChem CID 82980200) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
PubChem CID82980200
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
SMILESCCOc1cccc(CN(C)CCN2CCCC2)c1O
InChIInChI=1S/C16H26N2O2/c1-3-20-15-8-6-7-14(16(15)19)13-17(2)11-12-18-9-4-5-10-18/h6-8,19H,3-5,9-13H2,1-2H3
InChIKeyZOATXPMTQDUHMF-UHFFFAOYSA-N
XLogP2.32
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 112616281
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine
CID 154758902
[1-[2-[(3-ethoxy-2-hydroxyphenyl)methyl-methylamino]ethyl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42274447
2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82980151
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976872
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 25383853
4-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979704

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol (CID 82980200) is 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol is CCOc1cccc(CN(C)CCN2CCCC2)c1O.
What is the InChIKey of 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
The InChIKey is ZOATXPMTQDUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-20-15-8-6-7-14(16(15)19)13-17(2)11-12-18-9-4-5-10-18/h6-8,19H,3-5,9-13H2,1-2H3.
What are the key properties of 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol?
2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 82980200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).