1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol

C20H28N2O3S — CID 46007761

IUPAC1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN(CCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C20H28N2O3S/c23-18(17-25-19-5-2-1-3-6-19)15-22(16-20-7-4-14-26-20)9-8-21-10-12-24-13-11-21/h1-7,14,18,23H,8-13,15-17H2
InChIKeyHIIFWGAPQPKAQT-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.32
Rot. Bonds10

About 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol

1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 46007761) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol
PubChem CID46007761
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN(CCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C20H28N2O3S/c23-18(17-25-19-5-2-1-3-6-19)15-22(16-20-7-4-14-26-20)9-8-21-10-12-24-13-11-21/h1-7,14,18,23H,8-13,15-17H2
InChIKeyHIIFWGAPQPKAQT-UHFFFAOYSA-N
XLogP2.32
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 93163691
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
1-[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 42682366
(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93162217
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46006985
(2R)-1-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164054
(2S)-1-[2-hydroxyethyl(2-morpholin-4-ylethyl)amino]-3-(3-nitrophenoxy)propan-2-ol
CID 95789244
1-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18267024
(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93161388
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93163251

Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol (CID 46007761) is 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN(CCN1CCOCC1)Cc1cccs1.
What is the InChIKey of 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is HIIFWGAPQPKAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-18(17-25-19-5-2-1-3-6-19)15-22(16-20-7-4-14-26-20)9-8-21-10-12-24-13-11-21/h1-7,14,18,23H,8-13,15-17H2.
What are the key properties of 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol?
1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 376.52 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 46007761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).