1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride

C18H26ClNO2S — CID 138959112

IUPAC1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(C)c(OCC(O)CNC(C)c2cccs2)c(C)c1.Cl
InChIInChI=1S/C18H25NO2S.ClH/c1-12-8-13(2)18(14(3)9-12)21-11-16(20)10-19-15(4)17-6-5-7-22-17;/h5-9,15-16,19-20H,10-11H2,1-4H3;1H
InChIKeyTWPWLTVMWQJIMT-UHFFFAOYSA-N
MW355.93 g/mol
LogP4.19
Rot. Bonds7

About 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride

1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride (PubChem CID 138959112) has the molecular formula C18H26ClNO2S and a molecular weight of 355.93 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
PubChem CID138959112
Molecular FormulaC18H26ClNO2S
Molecular Weight355.93 g/mol
Exact Mass355.14
IUPAC Name1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(C)c(OCC(O)CNC(C)c2cccs2)c(C)c1.Cl
InChIInChI=1S/C18H25NO2S.ClH/c1-12-8-13(2)18(14(3)9-12)21-11-16(20)10-19-15(4)17-6-5-7-22-17;/h5-9,15-16,19-20H,10-11H2,1-4H3;1H
InChIKeyTWPWLTVMWQJIMT-UHFFFAOYSA-N
XLogP4.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.93
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137
1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
CID 138959128
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959135
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202
1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959141
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride (CID 138959112) is 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride is Cc1cc(C)c(OCC(O)CNC(C)c2cccs2)c(C)c1.Cl.
What is the InChIKey of 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is TWPWLTVMWQJIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S.ClH/c1-12-8-13(2)18(14(3)9-12)21-11-16(20)10-19-15(4)17-6-5-7-22-17;/h5-9,15-16,19-20H,10-11H2,1-4H3;1H.
What are the key properties of 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride?
1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 355.93 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138959112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).