(1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine

C13H15NS — CID 962365

IUPAC(1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccs1)c1ccccc1
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/t11-/m0/s1
InChIKeyPRHITJFVXXYYRE-NSHDSACASA-N
MW217.34 g/mol
LogP3.60
Rot. Bonds4

About (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine

(1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 962365) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID962365
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name(1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccs1)c1ccccc1
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/t11-/m0/s1
InChIKeyPRHITJFVXXYYRE-NSHDSACASA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine (CID 962365) is (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine is C[C@H](NCc1cccs1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is PRHITJFVXXYYRE-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
(1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 217.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 962365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).