(2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine

C20H26N2O3 — CID 120916508

IUPAC(2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine
SMILESCCOCc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1OC
InChIInChI=1S/C20H26N2O3/c1-3-24-14-17-11-15(6-7-19(17)23-2)12-22-18-8-10-25-20(18)16-5-4-9-21-13-16/h4-7,9,11,13,18,20,22H,3,8,10,12,14H2,1-2H3/t18-,20+/m0/s1
InChIKeyHVXMBTFXFMROIL-AZUAARDMSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds8

About (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine

(2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine (PubChem CID 120916508) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine
PubChem CID120916508
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine
SMILESCCOCc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1OC
InChIInChI=1S/C20H26N2O3/c1-3-24-14-17-11-15(6-7-19(17)23-2)12-22-18-8-10-25-20(18)16-5-4-9-21-13-16/h4-7,9,11,13,18,20,22H,3,8,10,12,14H2,1-2H3/t18-,20+/m0/s1
InChIKeyHVXMBTFXFMROIL-AZUAARDMSA-N
XLogP3.25
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine
CID 126802991
(4S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778593
1-[2-methoxy-5-(pyridin-3-ylmethyl)phenyl]-N-methylmethanamine
CID 104736885
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 54849396
N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625166
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 103864579
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
CID 152616446
5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine
CID 167800853
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976655
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128968849

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine?
The IUPAC name of (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine (CID 120916508) is (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine?
The canonical SMILES for (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine is CCOCc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1OC.
What is the InChIKey of (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine?
The InChIKey is HVXMBTFXFMROIL-AZUAARDMSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-24-14-17-11-15(6-7-19(17)23-2)12-22-18-8-10-25-20(18)16-5-4-9-21-13-16/h4-7,9,11,13,18,20,22H,3,8,10,12,14H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine?
(2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine has a molecular weight of 342.44 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine is sourced from PubChem (CID 120916508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).