5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol

C14H22N2O2 — CID 55204949

IUPAC5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
SMILESCCN(Cc1ccc(OC)c(O)c1)C1CCNC1
InChIInChI=1S/C14H22N2O2/c1-3-16(12-6-7-15-9-12)10-11-4-5-14(18-2)13(17)8-11/h4-5,8,12,15,17H,3,6-7,9-10H2,1-2H3
InChIKeyZIFWBYTVEJICMK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds5

About 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol

5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol (PubChem CID 55204949) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
PubChem CID55204949
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
SMILESCCN(Cc1ccc(OC)c(O)c1)C1CCNC1
InChIInChI=1S/C14H22N2O2/c1-3-16(12-6-7-15-9-12)10-11-4-5-14(18-2)13(17)8-11/h4-5,8,12,15,17H,3,6-7,9-10H2,1-2H3
InChIKeyZIFWBYTVEJICMK-UHFFFAOYSA-N
XLogP1.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767
N-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 63299916
4-[[azetidin-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 66184417
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 63299582
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300212
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
CID 107699202

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol (CID 55204949) is 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol is CCN(Cc1ccc(OC)c(O)c1)C1CCNC1.
What is the InChIKey of 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is ZIFWBYTVEJICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16(12-6-7-15-9-12)10-11-4-5-14(18-2)13(17)8-11/h4-5,8,12,15,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol?
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 250.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 55204949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).