1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C15H25NO3S — CID 61473596

IUPAC1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCc1ccc(C(C)NCC(O)COCC2CCCO2)s1
InChIInChI=1S/C15H25NO3S/c1-11-5-6-15(20-11)12(2)16-8-13(17)9-18-10-14-4-3-7-19-14/h5-6,12-14,16-17H,3-4,7-10H2,1-2H3
InChIKeyDUTPOFRODUKBMN-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.26
Rot. Bonds8

About 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 61473596) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID61473596
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCc1ccc(C(C)NCC(O)COCC2CCCO2)s1
InChIInChI=1S/C15H25NO3S/c1-11-5-6-15(20-11)12(2)16-8-13(17)9-18-10-14-4-3-7-19-14/h5-6,12-14,16-17H,3-4,7-10H2,1-2H3
InChIKeyDUTPOFRODUKBMN-UHFFFAOYSA-N
XLogP2.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663
1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81355892
1-[1-(3-bromophenyl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60746205
1-(2-butoxyethoxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 61474085
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 78839356
1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111336725
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771
1-(2,6-difluoro-3-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 82801882
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160886

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 61473596) is 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol is Cc1ccc(C(C)NCC(O)COCC2CCCO2)s1.
What is the InChIKey of 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is DUTPOFRODUKBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11-5-6-15(20-11)12(2)16-8-13(17)9-18-10-14-4-3-7-19-14/h5-6,12-14,16-17H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 299.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 61473596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).