1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride

C19H28ClNO2S — CID 138959141

IUPAC1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
SMILESCCC(C)c1ccccc1OCC(O)CNC(C)c1cccs1.Cl
InChIInChI=1S/C19H27NO2S.ClH/c1-4-14(2)17-8-5-6-9-18(17)22-13-16(21)12-20-15(3)19-10-7-11-23-19;/h5-11,14-16,20-21H,4,12-13H2,1-3H3;1H
InChIKeySQFAJXFYWUEOBK-UHFFFAOYSA-N
MW369.96 g/mol
LogP4.77
Rot. Bonds9

About 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride

1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride (PubChem CID 138959141) has the molecular formula C19H28ClNO2S and a molecular weight of 369.96 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
PubChem CID138959141
Molecular FormulaC19H28ClNO2S
Molecular Weight369.96 g/mol
Exact Mass369.15
IUPAC Name1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
SMILESCCC(C)c1ccccc1OCC(O)CNC(C)c1cccs1.Cl
InChIInChI=1S/C19H27NO2S.ClH/c1-4-14(2)17-8-5-6-9-18(17)22-13-16(21)12-20-15(3)19-10-7-11-23-19;/h5-11,14-16,20-21H,4,12-13H2,1-3H3;1H
InChIKeySQFAJXFYWUEOBK-UHFFFAOYSA-N
XLogP4.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.96
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
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-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137
1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 5000223
1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959112
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-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride (CID 138959141) is 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride is CCC(C)c1ccccc1OCC(O)CNC(C)c1cccs1.Cl.
What is the InChIKey of 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The InChIKey is SQFAJXFYWUEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2S.ClH/c1-4-14(2)17-8-5-6-9-18(17)22-13-16(21)12-20-15(3)19-10-7-11-23-19;/h5-11,14-16,20-21H,4,12-13H2,1-3H3;1H.
What are the key properties of 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride has a molecular weight of 369.96 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 138959141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).