1-benzothiophen-2-yl-(4-methylphenyl)methanamine

C16H15NS — CID 61406920

IUPAC1-benzothiophen-2-yl-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc3ccccc3s2)cc1
InChIInChI=1S/C16H15NS/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-10,16H,17H2,1H3
InChIKeyQYYDVFNUTKUXQZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.26
Rot. Bonds2

About 1-benzothiophen-2-yl-(4-methylphenyl)methanamine

1-benzothiophen-2-yl-(4-methylphenyl)methanamine (PubChem CID 61406920) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4-methylphenyl)methanamine
PubChem CID61406920
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name1-benzothiophen-2-yl-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc3ccccc3s2)cc1
InChIInChI=1S/C16H15NS/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-10,16H,17H2,1H3
InChIKeyQYYDVFNUTKUXQZ-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4-methylphenyl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(4-methylphenyl)methanamine (CID 61406920) is 1-benzothiophen-2-yl-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(4-methylphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(4-methylphenyl)methanamine is Cc1ccc(C(N)c2cc3ccccc3s2)cc1.
What is the InChIKey of 1-benzothiophen-2-yl-(4-methylphenyl)methanamine?
The InChIKey is QYYDVFNUTKUXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-10,16H,17H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-(4-methylphenyl)methanamine?
1-benzothiophen-2-yl-(4-methylphenyl)methanamine has a molecular weight of 253.37 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4-methylphenyl)methanamine is sourced from PubChem (CID 61406920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).