1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol

C13H23NO2S — CID 81408465

IUPAC1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
SMILESCC(C)COCC(O)CN[C@@H](C)c1cccs1
InChIInChI=1S/C13H23NO2S/c1-10(2)8-16-9-12(15)7-14-11(3)13-5-4-6-17-13/h4-6,10-12,14-15H,7-9H2,1-3H3/t11-,12?/m0/s1
InChIKeyJJEZMMFULMQILZ-PXYINDEMSA-N
MW257.40 g/mol
LogP2.43
Rot. Bonds8

About 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol

1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol (PubChem CID 81408465) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
PubChem CID81408465
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
SMILESCC(C)COCC(O)CN[C@@H](C)c1cccs1
InChIInChI=1S/C13H23NO2S/c1-10(2)8-16-9-12(15)7-14-11(3)13-5-4-6-17-13/h4-6,10-12,14-15H,7-9H2,1-3H3/t11-,12?/m0/s1
InChIKeyJJEZMMFULMQILZ-PXYINDEMSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol
CID 54964721
1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959135
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
CID 138959128
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959112
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol (CID 81408465) is 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol is CC(C)COCC(O)CN[C@@H](C)c1cccs1.
What is the InChIKey of 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The InChIKey is JJEZMMFULMQILZ-PXYINDEMSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-10(2)8-16-9-12(15)7-14-11(3)13-5-4-6-17-13/h4-6,10-12,14-15H,7-9H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol?
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol has a molecular weight of 257.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81408465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).