(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine

C18H28N2O3 — CID 96569478

IUPAC(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H]3CCCO3)C2)c1
InChIInChI=1S/C18H28N2O3/c1-19(13-16-5-4-8-23-16)14-6-7-20(12-14)15-9-17(21-2)11-18(10-15)22-3/h9-11,14,16H,4-8,12-13H2,1-3H3/t14-,16-/m1/s1
InChIKeyYLGIAIXDRWULOF-GDBMZVCRSA-N
MW320.43 g/mol
LogP2.39
Rot. Bonds6

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

(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine (PubChem CID 96569478) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine
PubChem CID96569478
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H]3CCCO3)C2)c1
InChIInChI=1S/C18H28N2O3/c1-19(13-16-5-4-8-23-16)14-6-7-20(12-14)15-9-17(21-2)11-18(10-15)22-3/h9-11,14,16H,4-8,12-13H2,1-3H3/t14-,16-/m1/s1
InChIKeyYLGIAIXDRWULOF-GDBMZVCRSA-N
XLogP2.39
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpyrimidin-2-amine
CID 71863951
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine
CID 97004691
6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374372
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 71863166
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
CID 96568851
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81298982
2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 115950596
N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 131906020
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine (CID 96569478) is (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine is COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H]3CCCO3)C2)c1.
What is the InChIKey of (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine?
The InChIKey is YLGIAIXDRWULOF-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-19(13-16-5-4-8-23-16)14-6-7-20(12-14)15-9-17(21-2)11-18(10-15)22-3/h9-11,14,16H,4-8,12-13H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine?
(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine has a molecular weight of 320.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 96569478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).