2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol

C20H26N2O3 — CID 56823449

IUPAC2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol
SMILESCOc1cccc(N2CCC(CNCc3ccc(OC)c(O)c3)C2)c1
InChIInChI=1S/C20H26N2O3/c1-24-18-5-3-4-17(11-18)22-9-8-16(14-22)13-21-12-15-6-7-20(25-2)19(23)10-15/h3-7,10-11,16,21,23H,8-9,12-14H2,1-2H3
InChIKeyABAPACDGWJQFRC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.03
Rot. Bonds7

About 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol

2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol (PubChem CID 56823449) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol
PubChem CID56823449
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol
SMILESCOc1cccc(N2CCC(CNCc3ccc(OC)c(O)c3)C2)c1
InChIInChI=1S/C20H26N2O3/c1-24-18-5-3-4-17(11-18)22-9-8-16(14-22)13-21-12-15-6-7-20(25-2)19(23)10-15/h3-7,10-11,16,21,23H,8-9,12-14H2,1-2H3
InChIKeyABAPACDGWJQFRC-UHFFFAOYSA-N
XLogP3.03
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
CID 54927262
1-[(3,4-dimethoxyphenyl)methyl]-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111202019
N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 97000762
N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 119110654
1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 119108538
1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine
CID 97217638
1-amino-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119871042
1-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900382
1-[(4-fluorophenyl)methyl]-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111232520
3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122000111
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
1-[2-(4-methoxyphenyl)ethyl]-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine
CID 111169678

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol (CID 56823449) is 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol is COc1cccc(N2CCC(CNCc3ccc(OC)c(O)c3)C2)c1.
What is the InChIKey of 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol?
The InChIKey is ABAPACDGWJQFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-18-5-3-4-17(11-18)22-9-8-16(14-22)13-21-12-15-6-7-20(25-2)19(23)10-15/h3-7,10-11,16,21,23H,8-9,12-14H2,1-2H3.
What are the key properties of 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol?
2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol has a molecular weight of 342.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol is sourced from PubChem (CID 56823449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).