[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium

C20H29ClN2O3+2 — CID 2502555

IUPAC[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium
SMILESO[C@@H](C[NH2+]C[C@@H](c1ccco1)[NH+]1CCCC1)COCc1ccccc1Cl
InChIInChI=1S/C20H27ClN2O3/c21-18-7-2-1-6-16(18)14-25-15-17(24)12-22-13-19(20-8-5-11-26-20)23-9-3-4-10-23/h1-2,5-8,11,17,19,22,24H,3-4,9-10,12-15H2/p+2/t17-,19-/m0/s1
InChIKeyBNABYTVVRHRFLS-HKUYNNGSSA-P
MW380.92 g/mol
LogP0.79
Rot. Bonds10

About [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium

[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium (PubChem CID 2502555) has the molecular formula C20H29ClN2O3+2 and a molecular weight of 380.92 g/mol. Its IUPAC name is [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium.

Molecular Properties

Compound Name[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium
PubChem CID2502555
Molecular FormulaC20H29ClN2O3+2
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium
SMILESO[C@@H](C[NH2+]C[C@@H](c1ccco1)[NH+]1CCCC1)COCc1ccccc1Cl
InChIInChI=1S/C20H27ClN2O3/c21-18-7-2-1-6-16(18)14-25-15-17(24)12-22-13-19(20-8-5-11-26-20)23-9-3-4-10-23/h1-2,5-8,11,17,19,22,24H,3-4,9-10,12-15H2/p+2/t17-,19-/m0/s1
InChIKeyBNABYTVVRHRFLS-HKUYNNGSSA-P
XLogP0.79
TPSA63.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium
CID 2118261
(2S)-1-[(2-chlorophenyl)methoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 2124096
1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 110909172
[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
CID 2561378
[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium
CID 7830770
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]azanium
CID 9255903
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
2-[(2-chlorophenyl)methoxy]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55772590
2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]azanium
CID 7859082
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium?
The IUPAC name of [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium (CID 2502555) is [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium.
What is the SMILES notation for [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium?
The canonical SMILES for [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium is O[C@@H](C[NH2+]C[C@@H](c1ccco1)[NH+]1CCCC1)COCc1ccccc1Cl.
What is the InChIKey of [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium?
The InChIKey is BNABYTVVRHRFLS-HKUYNNGSSA-P. The full InChI is InChI=1S/C20H27ClN2O3/c21-18-7-2-1-6-16(18)14-25-15-17(24)12-22-13-19(20-8-5-11-26-20)23-9-3-4-10-23/h1-2,5-8,11,17,19,22,24H,3-4,9-10,12-15H2/p+2/t17-,19-/m0/s1.
What are the key properties of [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium?
[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium has a molecular weight of 380.92 g/mol, XLogP of 0.79, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium is sourced from PubChem (CID 2502555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).