4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol

C16H26N2O3 — CID 60855504

IUPAC4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol
SMILESCCN1CCC(CNCc2cc(OC)c(O)c(OC)c2)C1
InChIInChI=1S/C16H26N2O3/c1-4-18-6-5-12(11-18)9-17-10-13-7-14(20-2)16(19)15(8-13)21-3/h7-8,12,17,19H,4-6,9-11H2,1-3H3
InChIKeyIGVSFHWWTIDHFO-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.84
Rot. Bonds7

About 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol

4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol (PubChem CID 60855504) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol
PubChem CID60855504
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol
SMILESCCN1CCC(CNCc2cc(OC)c(O)c(OC)c2)C1
InChIInChI=1S/C16H26N2O3/c1-4-18-6-5-12(11-18)9-17-10-13-7-14(20-2)16(19)15(8-13)21-3/h7-8,12,17,19H,4-6,9-11H2,1-3H3
InChIKeyIGVSFHWWTIDHFO-UHFFFAOYSA-N
XLogP1.84
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 119137986
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855864
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263660
1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760477
N-[(3,4-dimethoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119127001
1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 63001258
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119126987
N-[[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512758
1-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377286
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111376722

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol (CID 60855504) is 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol is CCN1CCC(CNCc2cc(OC)c(O)c(OC)c2)C1.
What is the InChIKey of 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol?
The InChIKey is IGVSFHWWTIDHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-18-6-5-12(11-18)9-17-10-13-7-14(20-2)16(19)15(8-13)21-3/h7-8,12,17,19H,4-6,9-11H2,1-3H3.
What are the key properties of 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol?
4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol has a molecular weight of 294.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 60855504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).