N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine

C16H26N2O3 — CID 22692545

IUPACN-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCNCC(c1cc(OC)c(OC)c(OC)c1)N1CCCC1
InChIInChI=1S/C16H26N2O3/c1-17-11-13(18-7-5-6-8-18)12-9-14(19-2)16(21-4)15(10-12)20-3/h9-10,13,17H,5-8,11H2,1-4H3
InChIKeyDGPJDKVRHIBRAW-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.07
Rot. Bonds7

About N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine

N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 22692545) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID22692545
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCNCC(c1cc(OC)c(OC)c(OC)c1)N1CCCC1
InChIInChI=1S/C16H26N2O3/c1-17-11-13(18-7-5-6-8-18)12-9-14(19-2)16(21-4)15(10-12)20-3/h9-10,13,17H,5-8,11H2,1-4H3
InChIKeyDGPJDKVRHIBRAW-UHFFFAOYSA-N
XLogP2.07
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35341953
1-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 30606381
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
2-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 16642919
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3,4,5-trimethoxybenzamide
CID 7496210
1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171310677
1-[(1S)-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171273628
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171286282
2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931575

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine (CID 22692545) is N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine is CNCC(c1cc(OC)c(OC)c(OC)c1)N1CCCC1.
What is the InChIKey of N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is DGPJDKVRHIBRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-17-11-13(18-7-5-6-8-18)12-9-14(19-2)16(21-4)15(10-12)20-3/h9-10,13,17H,5-8,11H2,1-4H3.
What are the key properties of N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine?
N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 294.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 22692545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).