2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride

C12H13Cl2NS — CID 3062000

IUPAC2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C12H12ClNS.ClH/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12;/h1-7,11H,8,14H2;1H
InChIKeyOSDCRHVUKPVVAG-UHFFFAOYSA-N
MW274.22 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride

2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062000) has the molecular formula C12H13Cl2NS and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062000
Molecular FormulaC12H13Cl2NS
Molecular Weight274.22 g/mol
Exact Mass273.01
IUPAC Name2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C12H12ClNS.ClH/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12;/h1-7,11H,8,14H2;1H
InChIKeyOSDCRHVUKPVVAG-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

4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739269
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
N-(3,4-dichlorobenzyl)-N-(2-thienylmethyl)amine
CID 834534
1-[(4-Chlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 285511
2-(4-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 16783198
N-((2-chlorophenyl)methyl)thiophene-3-ethylamine
CID 6454012
1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834263
1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-5-(thienyl)-
CID 4739511
(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648
4-(2-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 21953224
(4-Chlorophenyl)(thiophen-2-yl)methanamine
CID 22506646
Phenyl(thiophen-2-yl)methanamine
CID 335613

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3062000) is 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride is Cl.NC(Cc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is OSDCRHVUKPVVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS.ClH/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12;/h1-7,11H,8,14H2;1H.
What are the key properties of 2-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
2-(4-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-(4-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3062000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).