1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol

C15H17Cl2NOS — CID 61473675

IUPAC1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol
SMILESCc1ccc(C(C)NCC(O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C15H17Cl2NOS/c1-9-3-6-15(20-9)10(2)18-8-14(19)12-7-11(16)4-5-13(12)17/h3-7,10,14,18-19H,8H2,1-2H3
InChIKeyIVGPFUHLGUHZGR-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.75
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol

1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol (PubChem CID 61473675) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol
PubChem CID61473675
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol
SMILESCc1ccc(C(C)NCC(O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C15H17Cl2NOS/c1-9-3-6-15(20-9)10(2)18-8-14(19)12-7-11(16)4-5-13(12)17/h3-7,10,14,18-19H,8H2,1-2H3
InChIKeyIVGPFUHLGUHZGR-UHFFFAOYSA-N
XLogP4.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
CID 60980063
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
CID 55261148
1-(4-chlorophenoxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 61474000
1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
CID 60897086
N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62539090
1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118576
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol (CID 61473675) is 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol is Cc1ccc(C(C)NCC(O)c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol?
The InChIKey is IVGPFUHLGUHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-9-3-6-15(20-9)10(2)18-8-14(19)12-7-11(16)4-5-13(12)17/h3-7,10,14,18-19H,8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol?
1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol has a molecular weight of 330.28 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol is sourced from PubChem (CID 61473675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).