2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol

C13H23NO3S — CID 79248985

IUPAC2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCC(O)COCc1cccs1
InChIInChI=1S/C13H23NO3S/c1-10(2)13(7-15)14-6-11(16)8-17-9-12-4-3-5-18-12/h3-5,10-11,13-16H,6-9H2,1-2H3
InChIKeyXEMKNOOXBJPFRS-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.23
Rot. Bonds9

About 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol

2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol (PubChem CID 79248985) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol
PubChem CID79248985
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCC(O)COCc1cccs1
InChIInChI=1S/C13H23NO3S/c1-10(2)13(7-15)14-6-11(16)8-17-9-12-4-3-5-18-12/h3-5,10-11,13-16H,6-9H2,1-2H3
InChIKeyXEMKNOOXBJPFRS-UHFFFAOYSA-N
XLogP1.23
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
(2R)-1-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98285003
1-(morpholin-4-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 83021271
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
CID 79250118
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
1-[1-(3-bromo-4-methoxyphenyl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 112799340

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol (CID 79248985) is 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)NCC(O)COCc1cccs1.
What is the InChIKey of 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol?
The InChIKey is XEMKNOOXBJPFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-10(2)13(7-15)14-6-11(16)8-17-9-12-4-3-5-18-12/h3-5,10-11,13-16H,6-9H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol?
2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol has a molecular weight of 273.40 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79248985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).