2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride

C12H13Cl2NS — CID 3061996

IUPAC2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NC(Cc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H12ClNS.ClH/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12;/h1-7,11H,8,14H2;1H
InChIKeyNWPLKDRBYKYLFH-UHFFFAOYSA-N
MW274.22 g/mol
LogP4.07
Rot. Bonds3

About 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride

2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3061996) has the molecular formula C12H13Cl2NS and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3061996
Molecular FormulaC12H13Cl2NS
Molecular Weight274.22 g/mol
Exact Mass273.01
IUPAC Name2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NC(Cc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H12ClNS.ClH/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12;/h1-7,11H,8,14H2;1H
InChIKeyNWPLKDRBYKYLFH-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine
CID 65321861
2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 65127349
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55022248
1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine
CID 106687882
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 81261999
2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157649
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
2-[(3-chlorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60793081
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
CID 60707258

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3061996) is 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride is Cl.NC(Cc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is NWPLKDRBYKYLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS.ClH/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12;/h1-7,11H,8,14H2;1H.
What are the key properties of 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 274.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3061996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).