2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine

C26H31N3O2 — CID 47030410

IUPAC2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C(CNCc2cccc(OCc3ccccn3)c2)N2CCCC2)cc1
InChIInChI=1S/C26H31N3O2/c1-30-24-12-10-22(11-13-24)26(29-15-4-5-16-29)19-27-18-21-7-6-9-25(17-21)31-20-23-8-2-3-14-28-23/h2-3,6-14,17,26-27H,4-5,15-16,18-20H2,1H3
InChIKeyWGFDJTOIQTZZLV-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.60
Rot. Bonds10

About 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine

2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 47030410) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID47030410
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C(CNCc2cccc(OCc3ccccn3)c2)N2CCCC2)cc1
InChIInChI=1S/C26H31N3O2/c1-30-24-12-10-22(11-13-24)26(29-15-4-5-16-29)19-27-18-21-7-6-9-25(17-21)31-20-23-8-2-3-14-28-23/h2-3,6-14,17,26-27H,4-5,15-16,18-20H2,1H3
InChIKeyWGFDJTOIQTZZLV-UHFFFAOYSA-N
XLogP4.60
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60590060
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
3-[[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030109
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 39963625
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60590059
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 60590154
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55387516
4-[[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]benzonitrile
CID 119137893
2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 55464306
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine (CID 47030410) is 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine is COc1ccc(C(CNCc2cccc(OCc3ccccn3)c2)N2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is WGFDJTOIQTZZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-30-24-12-10-22(11-13-24)26(29-15-4-5-16-29)19-27-18-21-7-6-9-25(17-21)31-20-23-8-2-3-14-28-23/h2-3,6-14,17,26-27H,4-5,15-16,18-20H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 417.55 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 47030410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).