3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine

C16H26N2O3 — CID 83934065

IUPAC3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CCN)N2CCCC2)c(OC)c1OC
InChIInChI=1S/C16H26N2O3/c1-19-14-7-6-12(15(20-2)16(14)21-3)13(8-9-17)18-10-4-5-11-18/h6-7,13H,4-5,8-11,17H2,1-3H3
InChIKeyAVLGHABBNGQRQT-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.20
Rot. Bonds7

About 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine

3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine (PubChem CID 83934065) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
PubChem CID83934065
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CCN)N2CCCC2)c(OC)c1OC
InChIInChI=1S/C16H26N2O3/c1-19-14-7-6-12(15(20-2)16(14)21-3)13(8-9-17)18-10-4-5-11-18/h6-7,13H,4-5,8-11,17H2,1-3H3
InChIKeyAVLGHABBNGQRQT-UHFFFAOYSA-N
XLogP2.20
TPSA56.95 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 171158059
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83941084
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 171273829
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513
(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine (CID 83934065) is 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine is COc1ccc(C(CCN)N2CCCC2)c(OC)c1OC.
What is the InChIKey of 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine?
The InChIKey is AVLGHABBNGQRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-19-14-7-6-12(15(20-2)16(14)21-3)13(8-9-17)18-10-4-5-11-18/h6-7,13H,4-5,8-11,17H2,1-3H3.
What are the key properties of 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine?
3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine has a molecular weight of 294.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83934065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).