(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C21H34N2O4 — CID 97268684

IUPAC(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(CN2CCOC(C)(C)C2)c(OC[C@H](O)CN2CCCC2)c1
InChIInChI=1S/C21H34N2O4/c1-21(2)16-23(10-11-27-21)13-17-6-7-19(25-3)12-20(17)26-15-18(24)14-22-8-4-5-9-22/h6-7,12,18,24H,4-5,8-11,13-16H2,1-3H3/t18-/m1/s1
InChIKeyRWNUKWOBGLGGFP-GOSISDBHSA-N
MW378.51 g/mol
LogP2.14
Rot. Bonds8

About (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol

(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 97268684) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID97268684
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(CN2CCOC(C)(C)C2)c(OC[C@H](O)CN2CCCC2)c1
InChIInChI=1S/C21H34N2O4/c1-21(2)16-23(10-11-27-21)13-17-6-7-19(25-3)12-20(17)26-15-18(24)14-22-8-4-5-9-22/h6-7,12,18,24H,4-5,8-11,13-16H2,1-3H3/t18-/m1/s1
InChIKeyRWNUKWOBGLGGFP-GOSISDBHSA-N
XLogP2.14
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol 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

1-(azocan-1-yl)-3-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45248101
1-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 72857305
1-(azocan-1-yl)-3-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-5-methoxyphenoxy]propan-2-ol
CID 45201245
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82977089
1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 72901138
(2R)-1-(azocan-1-yl)-3-[5-methoxy-2-[(prop-2-enylamino)methyl]phenoxy]propan-2-ol
CID 42453450
(2S)-1-[2-(4-azaspiro[2.5]octan-4-ylmethyl)-5-methoxyphenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97270450
1-[5-methoxy-2-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45168930
(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 97274933
1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 110888534
(2S)-1-[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 97273534
1-[(2S)-3-[2-(azetidin-1-ylmethyl)-4-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97284935

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 97268684) is (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol is COc1ccc(CN2CCOC(C)(C)C2)c(OC[C@H](O)CN2CCCC2)c1.
What is the InChIKey of (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is RWNUKWOBGLGGFP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-21(2)16-23(10-11-27-21)13-17-6-7-19(25-3)12-20(17)26-15-18(24)14-22-8-4-5-9-22/h6-7,12,18,24H,4-5,8-11,13-16H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 378.51 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 97268684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).