1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride

C16H21Cl2NO2S — CID 138959137

IUPAC1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(O)CNC(C)c1cccs1.Cl
InChIInChI=1S/C16H20ClNO2S.ClH/c1-11-8-13(17)5-6-15(11)20-10-14(19)9-18-12(2)16-4-3-7-21-16;/h3-8,12,14,18-19H,9-10H2,1-2H3;1H
InChIKeyZGOXGEVMKHUXQT-UHFFFAOYSA-N
MW362.32 g/mol
LogP4.22
Rot. Bonds7

About 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride

1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride (PubChem CID 138959137) has the molecular formula C16H21Cl2NO2S and a molecular weight of 362.32 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
PubChem CID138959137
Molecular FormulaC16H21Cl2NO2S
Molecular Weight362.32 g/mol
Exact Mass361.07
IUPAC Name1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(O)CNC(C)c1cccs1.Cl
InChIInChI=1S/C16H20ClNO2S.ClH/c1-11-8-13(17)5-6-15(11)20-10-14(19)9-18-12(2)16-4-3-7-21-16;/h3-8,12,14,18-19H,9-10H2,1-2H3;1H
InChIKeyZGOXGEVMKHUXQT-UHFFFAOYSA-N
XLogP4.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 54.22
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-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961023
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
1-(4-chloro-2-methylphenoxy)-3-[1-(4-ethylphenyl)ethylamino]propan-2-ol;hydrochloride
CID 138958863
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138960420
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124
1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959141
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-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride (CID 138959137) is 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride is Cc1cc(Cl)ccc1OCC(O)CNC(C)c1cccs1.Cl.
What is the InChIKey of 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The InChIKey is ZGOXGEVMKHUXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S.ClH/c1-11-8-13(17)5-6-15(11)20-10-14(19)9-18-12(2)16-4-3-7-21-16;/h3-8,12,14,18-19H,9-10H2,1-2H3;1H.
What are the key properties of 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride has a molecular weight of 362.32 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 138959137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).