(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine

C13H15NS — CID 171211233

IUPAC(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
SMILESCCc1ccc([C@H](N)c2ccsc2)cc1
InChIInChI=1S/C13H15NS/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-9-12/h3-9,13H,2,14H2,1H3/t13-/m0/s1
InChIKeyWFJNJMMQDMJDAJ-ZDUSSCGKSA-N
MW217.34 g/mol
LogP3.36
Rot. Bonds3

About (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine

(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine (PubChem CID 171211233) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
PubChem CID171211233
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
SMILESCCc1ccc([C@H](N)c2ccsc2)cc1
InChIInChI=1S/C13H15NS/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-9-12/h3-9,13H,2,14H2,1H3/t13-/m0/s1
InChIKeyWFJNJMMQDMJDAJ-ZDUSSCGKSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
(S)-(5-ethylfuran-2-yl)-thiophen-3-ylmethanamine
CID 94398939
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 78923574
4-[(S)-amino(thiophen-3-yl)methyl]benzoic acid
CID 171198152
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine
CID 171198265
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773

Frequently Asked Questions

What is the IUPAC name of (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine (CID 171211233) is (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine is CCc1ccc([C@H](N)c2ccsc2)cc1.
What is the InChIKey of (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine?
The InChIKey is WFJNJMMQDMJDAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-10-3-5-11(6-4-10)13(14)12-7-8-15-9-12/h3-9,13H,2,14H2,1H3/t13-/m0/s1.
What are the key properties of (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine?
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine has a molecular weight of 217.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-ethylphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171211233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).