1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine

C13H14ClNS — CID 82883386

IUPAC1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(Cl)cc1C(N)Cc1ccsc1
InChIInChI=1S/C13H14ClNS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13H,6,15H2,1H3
InChIKeyXPPYDHFSIDNTKA-UHFFFAOYSA-N
MW251.78 g/mol
LogP3.95
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine

1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine (PubChem CID 82883386) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
PubChem CID82883386
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(Cl)cc1C(N)Cc1ccsc1
InChIInChI=1S/C13H14ClNS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13H,6,15H2,1H3
InChIKeyXPPYDHFSIDNTKA-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 65307292
1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078640
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
CID 82871275
1-(5-chloro-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019329
1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024568
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine (CID 82883386) is 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine is Cc1ccc(Cl)cc1C(N)Cc1ccsc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine?
The InChIKey is XPPYDHFSIDNTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13H,6,15H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine?
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine has a molecular weight of 251.78 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 82883386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).