(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

C21H30N2O4S — CID 29023159

IUPAC(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cccc(CN(C)Cc2cccs2)c1OC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C21H30N2O4S/c1-22(15-19-6-4-12-28-19)13-17-5-3-7-20(25-2)21(17)27-16-18(24)14-23-8-10-26-11-9-23/h3-7,12,18,24H,8-11,13-16H2,1-2H3/t18-/m0/s1
InChIKeyXICGWCXJPZHXSI-SFHVURJKSA-N
MW406.55 g/mol
LogP2.46
Rot. Bonds10

About (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 29023159) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID29023159
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC Name(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cccc(CN(C)Cc2cccs2)c1OC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C21H30N2O4S/c1-22(15-19-6-4-12-28-19)13-17-5-3-7-20(25-2)21(17)27-16-18(24)14-23-8-10-26-11-9-23/h3-7,12,18,24H,8-11,13-16H2,1-2H3/t18-/m0/s1
InChIKeyXICGWCXJPZHXSI-SFHVURJKSA-N
XLogP2.46
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[2-(azetidin-1-ylmethyl)-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72845119
1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45226304
(2S)-1-[2-methoxy-6-[[prop-2-enyl(prop-2-ynyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 31016370
1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45250938
(2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28954876
4-[[2-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxyphenyl]methyl]piperazin-2-one
CID 45215447
(2S)-1-[2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29001533
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45238896
1-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72866176
1-[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 42682366
1-(2,6-dimethoxyphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3522870

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 29023159) is (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is COc1cccc(CN(C)Cc2cccs2)c1OC[C@@H](O)CN1CCOCC1.
What is the InChIKey of (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is XICGWCXJPZHXSI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-22(15-19-6-4-12-28-19)13-17-5-3-7-20(25-2)21(17)27-16-18(24)14-23-8-10-26-11-9-23/h3-7,12,18,24H,8-11,13-16H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 406.55 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 29023159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).