N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine

C15H24N2O2 — CID 54792843

IUPACN-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(OC)ccc2OC)C1
InChIInChI=1S/C15H24N2O2/c1-4-16-10-12-7-8-17(11-12)14-9-13(18-2)5-6-15(14)19-3/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3
InChIKeyMBPRYNHLBKROLJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds6

About N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 54792843) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID54792843
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(OC)ccc2OC)C1
InChIInChI=1S/C15H24N2O2/c1-4-16-10-12-7-8-17(11-12)14-9-13(18-2)5-6-15(14)19-3/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3
InChIKeyMBPRYNHLBKROLJ-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513267
3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981273
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
1-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]butan-1-one
CID 83981268
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071
2-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004681
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
2-hydroxy-4-methoxy-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 97000051
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
CID 83982024

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine (CID 54792843) is N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(c2cc(OC)ccc2OC)C1.
What is the InChIKey of N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is MBPRYNHLBKROLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-16-10-12-7-8-17(11-12)14-9-13(18-2)5-6-15(14)19-3/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54792843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).