2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

C19H19NS — CID 43222657

IUPAC2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESc1ccc(CCNCc2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C19H19NS/c1-3-7-16(8-4-1)13-14-20-15-18-11-12-19(21-18)17-9-5-2-6-10-17/h1-12,20H,13-15H2
InChIKeyOWVDOHSKLLKQTK-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.75
Rot. Bonds6

About 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 43222657) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID43222657
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESc1ccc(CCNCc2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C19H19NS/c1-3-7-16(8-4-1)13-14-20-15-18-11-12-19(21-18)17-9-5-2-6-10-17/h1-12,20H,13-15H2
InChIKeyOWVDOHSKLLKQTK-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (CID 43222657) is 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is c1ccc(CCNCc2ccc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is OWVDOHSKLLKQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-3-7-16(8-4-1)13-14-20-15-18-11-12-19(21-18)17-9-5-2-6-10-17/h1-12,20H,13-15H2.
What are the key properties of 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 293.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43222657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).