1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H22ClNO2S — CID 54954410

IUPAC1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(NCC(O)COC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C13H22ClNO2S/c1-9(11-5-6-12(14)18-11)15-7-10(16)8-17-13(2,3)4/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKeyOXMRENNTCWSSPS-UHFFFAOYSA-N
MW291.84 g/mol
LogP3.23
Rot. Bonds6

About 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 54954410) has the molecular formula C13H22ClNO2S and a molecular weight of 291.84 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID54954410
Molecular FormulaC13H22ClNO2S
Molecular Weight291.84 g/mol
Exact Mass291.11
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(NCC(O)COC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C13H22ClNO2S/c1-9(11-5-6-12(14)18-11)15-7-10(16)8-17-13(2,3)4/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKeyOXMRENNTCWSSPS-UHFFFAOYSA-N
XLogP3.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 61469219
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
CID 61469543
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497
tert-butyl N-[2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbutyl]carbamate
CID 107441541
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 54954410) is 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(NCC(O)COC(C)(C)C)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is OXMRENNTCWSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2S/c1-9(11-5-6-12(14)18-11)15-7-10(16)8-17-13(2,3)4/h5-6,9-10,15-16H,7-8H2,1-4H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 291.84 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 54954410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).