2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol

C13H13Cl2NOS — CID 61055196

IUPAC2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
SMILESOCC(NCc1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H13Cl2NOS/c14-10-4-1-5-11(15)13(10)12(8-17)16-7-9-3-2-6-18-9/h1-6,12,16-17H,7-8H2
InChIKeyOFNVSSNCYYAAQM-UHFFFAOYSA-N
MW302.23 g/mol
LogP3.88
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol

2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol (PubChem CID 61055196) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
PubChem CID61055196
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
SMILESOCC(NCc1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H13Cl2NOS/c14-10-4-1-5-11(15)13(10)12(8-17)16-7-9-3-2-6-18-9/h1-6,12,16-17H,7-8H2
InChIKeyOFNVSSNCYYAAQM-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
CID 61054801
2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
CID 61054191
1-(3-chloro-2-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487950
2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887515
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
1-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81146340
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054329
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 4716146

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol (CID 61055196) is 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol is OCC(NCc1cccs1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol?
The InChIKey is OFNVSSNCYYAAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c14-10-4-1-5-11(15)13(10)12(8-17)16-7-9-3-2-6-18-9/h1-6,12,16-17H,7-8H2.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol?
2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol has a molecular weight of 302.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol is sourced from PubChem (CID 61055196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).