1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride

C15H18Cl3NO2S — CID 21151838

IUPAC1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride
SMILESCOc1ccc(C(C)NCC(O)c2cc(Cl)c(Cl)s2)cc1.Cl
InChIInChI=1S/C15H17Cl2NO2S.ClH/c1-9(10-3-5-11(20-2)6-4-10)18-8-13(19)14-7-12(16)15(17)21-14;/h3-7,9,13,18-19H,8H2,1-2H3;1H
InChIKeyATWNWZWHMHRWPC-UHFFFAOYSA-N
MW382.74 g/mol
LogP4.87
Rot. Bonds6

About 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride

1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride (PubChem CID 21151838) has the molecular formula C15H18Cl3NO2S and a molecular weight of 382.74 g/mol. Its IUPAC name is 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride
PubChem CID21151838
Molecular FormulaC15H18Cl3NO2S
Molecular Weight382.74 g/mol
Exact Mass381.01
IUPAC Name1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride
SMILESCOc1ccc(C(C)NCC(O)c2cc(Cl)c(Cl)s2)cc1.Cl
InChIInChI=1S/C15H17Cl2NO2S.ClH/c1-9(10-3-5-11(20-2)6-4-10)18-8-13(19)14-7-12(16)15(17)21-14;/h3-7,9,13,18-19H,8H2,1-2H3;1H
InChIKeyATWNWZWHMHRWPC-UHFFFAOYSA-N
XLogP4.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.74
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
CID 66244071
(E)-4-chloro-N-[1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
CID 81430269
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride?
The IUPAC name of 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride (CID 21151838) is 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride.
What is the SMILES notation for 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride?
The canonical SMILES for 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride is COc1ccc(C(C)NCC(O)c2cc(Cl)c(Cl)s2)cc1.Cl.
What is the InChIKey of 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride?
The InChIKey is ATWNWZWHMHRWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2S.ClH/c1-9(10-3-5-11(20-2)6-4-10)18-8-13(19)14-7-12(16)15(17)21-14;/h3-7,9,13,18-19H,8H2,1-2H3;1H.
What are the key properties of 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride?
1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride has a molecular weight of 382.74 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichlorothiophen-2-yl)-2-[1-(4-methoxyphenyl)ethylamino]ethanol;hydrochloride is sourced from PubChem (CID 21151838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).