1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol

C12H21NO2S — CID 24714891

IUPAC1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol
SMILESCOCCN(Cc1ccsc1)CC(C)(C)O
InChIInChI=1S/C12H21NO2S/c1-12(2,14)10-13(5-6-15-3)8-11-4-7-16-9-11/h4,7,9,14H,5-6,8,10H2,1-3H3
InChIKeyQUKPCWRZDYSPQJ-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.97
Rot. Bonds7

About 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol

1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol (PubChem CID 24714891) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol
PubChem CID24714891
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol
SMILESCOCCN(Cc1ccsc1)CC(C)(C)O
InChIInChI=1S/C12H21NO2S/c1-12(2,14)10-13(5-6-15-3)8-11-4-7-16-9-11/h4,7,9,14H,5-6,8,10H2,1-3H3
InChIKeyQUKPCWRZDYSPQJ-UHFFFAOYSA-N
XLogP1.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[[2-methoxyethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017644
4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol
CID 65146654
2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93166076
2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine
CID 91836833
methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate
CID 78959784
N-[2-[(2-amino-2-methylpropyl)-(thiophen-3-ylmethyl)amino]ethyl]acetamide
CID 120858456
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
CID 115536395
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 131942299
N-(2-methoxyethyl)-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 74240165
N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62923287
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796686

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol (CID 24714891) is 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol is COCCN(Cc1ccsc1)CC(C)(C)O.
What is the InChIKey of 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol?
The InChIKey is QUKPCWRZDYSPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-12(2,14)10-13(5-6-15-3)8-11-4-7-16-9-11/h4,7,9,14H,5-6,8,10H2,1-3H3.
What are the key properties of 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol?
1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol has a molecular weight of 243.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 24714891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).