1-Phenyl-N-(2-thienylmethyl)-1-ethanamine

C13H15NS — CID 2760382

IUPAC1-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(C1=CC=CC=C1)NCC2=CC=CS2
InChIInChI=1S/C13H15NS/c1-11(12-6-3-2-4-7-12)14-10-13-8-5-9-15-13/h2-9,11,14H,10H2,1H3
InChIKeyPRHITJFVXXYYRE-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.90
Rot. Bonds4

About 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine

1-Phenyl-N-(2-thienylmethyl)-1-ethanamine (PubChem CID 2760382) has the molecular formula C13H15NS and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-phenyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-Phenyl-N-(2-thienylmethyl)-1-ethanamine
PubChem CID2760382
Molecular FormulaC13H15NS
Molecular Weight217.33 g/mol
Exact Mass217.09
IUPAC Name1-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(C1=CC=CC=C1)NCC2=CC=CS2
InChIInChI=1S/C13H15NS/c1-11(12-6-3-2-4-7-12)14-10-13-8-5-9-15-13/h2-9,11,14H,10H2,1H3
InChIKeyPRHITJFVXXYYRE-UHFFFAOYSA-N
XLogP2.90
TPSA40.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity177

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
Tifacogin
CID 961320
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452

Frequently Asked Questions

What is the IUPAC name of 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine?
The IUPAC name of 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine (CID 2760382) is 1-phenyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine?
The canonical SMILES for 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine is CC(C1=CC=CC=C1)NCC2=CC=CS2.
What is the InChIKey of 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine?
The InChIKey is PRHITJFVXXYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-11(12-6-3-2-4-7-12)14-10-13-8-5-9-15-13/h2-9,11,14H,10H2,1H3.
What are the key properties of 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine?
1-Phenyl-N-(2-thienylmethyl)-1-ethanamine has a molecular weight of 217.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine is sourced from PubChem (CID 2760382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).