1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride

C17H24ClNO2S — CID 138959135

IUPAC1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
SMILESCc1ccc(COCC(O)CNC(C)c2cccs2)cc1.Cl
InChIInChI=1S/C17H23NO2S.ClH/c1-13-5-7-15(8-6-13)11-20-12-16(19)10-18-14(2)17-4-3-9-21-17;/h3-9,14,16,18-19H,10-12H2,1-2H3;1H
InChIKeyHGEFYYDSXYHJIM-UHFFFAOYSA-N
MW341.90 g/mol
LogP3.71
Rot. Bonds8

About 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride

1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride (PubChem CID 138959135) has the molecular formula C17H24ClNO2S and a molecular weight of 341.90 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
PubChem CID138959135
Molecular FormulaC17H24ClNO2S
Molecular Weight341.90 g/mol
Exact Mass341.12
IUPAC Name1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
SMILESCc1ccc(COCC(O)CNC(C)c2cccs2)cc1.Cl
InChIInChI=1S/C17H23NO2S.ClH/c1-13-5-7-15(8-6-13)11-20-12-16(19)10-18-14(2)17-4-3-9-21-17;/h3-9,14,16,18-19H,10-12H2,1-2H3;1H
InChIKeyHGEFYYDSXYHJIM-UHFFFAOYSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.90
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959112
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride (CID 138959135) is 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride is Cc1ccc(COCC(O)CNC(C)c2cccs2)cc1.Cl.
What is the InChIKey of 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The InChIKey is HGEFYYDSXYHJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S.ClH/c1-13-5-7-15(8-6-13)11-20-12-16(19)10-18-14(2)17-4-3-9-21-17;/h3-9,14,16,18-19H,10-12H2,1-2H3;1H.
What are the key properties of 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride has a molecular weight of 341.90 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 138959135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).