2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

C14H16ClNS — CID 65239408

IUPAC2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccccc2Cl)sc1C
InChIInChI=1S/C14H16ClNS/c1-9-7-14(17-10(9)2)13(16)8-11-5-3-4-6-12(11)15/h3-7,13H,8,16H2,1-2H3
InChIKeyKWLUYTOXHOQEED-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (PubChem CID 65239408) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
PubChem CID65239408
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccccc2Cl)sc1C
InChIInChI=1S/C14H16ClNS/c1-9-7-14(17-10(9)2)13(16)8-11-5-3-4-6-12(11)15/h3-7,13H,8,16H2,1-2H3
InChIKeyKWLUYTOXHOQEED-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
2-(2-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43103860
1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine
CID 115794294
2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115810291
1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 65239417
2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
CID 102764734
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029526
1-(4,5-dimethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826649
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115800599

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (CID 65239408) is 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine is Cc1cc(C(N)Cc2ccccc2Cl)sc1C.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The InChIKey is KWLUYTOXHOQEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-7-14(17-10(9)2)13(16)8-11-5-3-4-6-12(11)15/h3-7,13H,8,16H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 65239408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).