2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

C23H32N2O4 — CID 60590059

IUPAC2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(C(CNCc2cc(OC)c(OC)cc2OC)N2CCCC2)cc1
InChIInChI=1S/C23H32N2O4/c1-26-19-9-7-17(8-10-19)20(25-11-5-6-12-25)16-24-15-18-13-22(28-3)23(29-4)14-21(18)27-2/h7-10,13-14,20,24H,5-6,11-12,15-16H2,1-4H3
InChIKeyNPILLTWCSLERFC-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.65
Rot. Bonds10

About 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 60590059) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID60590059
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(C(CNCc2cc(OC)c(OC)cc2OC)N2CCCC2)cc1
InChIInChI=1S/C23H32N2O4/c1-26-19-9-7-17(8-10-19)20(25-11-5-6-12-25)16-24-15-18-13-22(28-3)23(29-4)14-21(18)27-2/h7-10,13-14,20,24H,5-6,11-12,15-16H2,1-4H3
InChIKeyNPILLTWCSLERFC-UHFFFAOYSA-N
XLogP3.65
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 52539640
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55387516
4-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]-6,7-dimethylchromen-2-one
CID 9256891
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 60590154
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78809702
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 39963625
4-[[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]benzonitrile
CID 119137893
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60590060
4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]-7,8-dimethylchromen-2-one
CID 9466796
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 75854207
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine (CID 60590059) is 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine is COc1ccc(C(CNCc2cc(OC)c(OC)cc2OC)N2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is NPILLTWCSLERFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-26-19-9-7-17(8-10-19)20(25-11-5-6-12-25)16-24-15-18-13-22(28-3)23(29-4)14-21(18)27-2/h7-10,13-14,20,24H,5-6,11-12,15-16H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 400.52 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60590059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).