1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C13H13ClF3NS — CID 3062024

IUPAC1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCl.NC(Cc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H12F3NS.ClH/c14-13(15,16)10-4-1-3-9(7-10)8-11(17)12-5-2-6-18-12;/h1-7,11H,8,17H2;1H
InChIKeyJHIURARIJYZWHB-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.43
Rot. Bonds3

About 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 3062024) has the molecular formula C13H13ClF3NS and a molecular weight of 307.77 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID3062024
Molecular FormulaC13H13ClF3NS
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCl.NC(Cc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H12F3NS.ClH/c14-13(15,16)10-4-1-3-9(7-10)8-11(17)12-5-2-6-18-12;/h1-7,11H,8,17H2;1H
InChIKeyJHIURARIJYZWHB-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
Thiophene-2-thiocarboxamide, 5-trifluoromethyl-4-phenyl-
CID 2740400
N-Methyl-N-(3-thien-3-ylbenzyl)amine
CID 18525825
[3-(Thiophen-3-yl)phenyl]methanamine
CID 19916941
N-Methyl-N-(3-thien-2-ylbenzyl)amine
CID 18525772
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
1-(5,6,7,8-Tetrahydronaphthalen-2-yl)-1-(thiophen-2-yl)methanamine
CID 16227043
4,5,6,7-Tetrahydro-1-benzothiophen-4-amine
CID 4216372
(5-Phenylthiophen-2-yl)methanamine hydrochloride
CID 12323239
1-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 16192824
(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 3062024) is 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride is Cl.NC(Cc1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is JHIURARIJYZWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS.ClH/c14-13(15,16)10-4-1-3-9(7-10)8-11(17)12-5-2-6-18-12;/h1-7,11H,8,17H2;1H.
What are the key properties of 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 307.77 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 3062024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).