2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine

C17H28N2O2 — CID 124753174

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
SMILESCOc1ccc(CCN(C)C[C@@H]2CCN(C)C2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-18(12-15-8-10-19(2)13-15)9-7-14-5-6-16(20-3)17(11-14)21-4/h5-6,11,15H,7-10,12-13H2,1-4H3/t15-/m0/s1
InChIKeyLKSWHIGMAPQIBN-HNNXBMFYSA-N
MW292.42 g/mol
LogP2.13
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine (PubChem CID 124753174) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
PubChem CID124753174
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
SMILESCOc1ccc(CCN(C)C[C@@H]2CCN(C)C2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-18(12-15-8-10-19(2)13-15)9-7-14-5-6-16(20-3)17(11-14)21-4/h5-6,11,15H,7-10,12-13H2,1-4H3/t15-/m0/s1
InChIKeyLKSWHIGMAPQIBN-HNNXBMFYSA-N
XLogP2.13
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethyl]aniline
CID 65347709
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 63272706
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
CID 115342117
4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
CID 63273928
3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 115214350
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444677
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
2-(3,4-dimethoxyphenyl)-N-methyl-N-(morpholin-2-ylmethyl)ethanamine
CID 42849152

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine (CID 124753174) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine is COc1ccc(CCN(C)C[C@@H]2CCN(C)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is LKSWHIGMAPQIBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18(12-15-8-10-19(2)13-15)9-7-14-5-6-16(20-3)17(11-14)21-4/h5-6,11,15H,7-10,12-13H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 124753174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).