2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine

C12H11Cl2NS — CID 65321861

IUPAC2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C12H11Cl2NS/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h1-6,11H,7,15H2
InChIKeyDEMQQMKATBEXRH-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.30
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine

2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine (PubChem CID 65321861) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine
PubChem CID65321861
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C12H11Cl2NS/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h1-6,11H,7,15H2
InChIKeyDEMQQMKATBEXRH-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 3061996
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 65321380
1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105100465
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)ethanamine
CID 106692129
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 65321564
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine (CID 65321861) is 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine is NC(Cc1cc(Cl)ccc1Cl)c1cccs1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine?
The InChIKey is DEMQQMKATBEXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h1-6,11H,7,15H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine?
2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine has a molecular weight of 272.20 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 65321861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).