1-benzothiophen-7-yl(naphthalen-2-yl)methanamine

C19H15NS — CID 81129802

IUPAC1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
SMILESNC(c1ccc2ccccc2c1)c1cccc2ccsc12
InChIInChI=1S/C19H15NS/c20-18(17-7-3-6-14-10-11-21-19(14)17)16-9-8-13-4-1-2-5-15(13)12-16/h1-12,18H,20H2
InChIKeyDSMTWZRYGSBARD-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.10
Rot. Bonds2

About 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine

1-benzothiophen-7-yl(naphthalen-2-yl)methanamine (PubChem CID 81129802) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
PubChem CID81129802
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
SMILESNC(c1ccc2ccccc2c1)c1cccc2ccsc12
InChIInChI=1S/C19H15NS/c20-18(17-7-3-6-14-10-11-21-19(14)17)16-9-8-13-4-1-2-5-15(13)12-16/h1-12,18H,20H2
InChIKeyDSMTWZRYGSBARD-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine (CID 81129802) is 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine is NC(c1ccc2ccccc2c1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine?
The InChIKey is DSMTWZRYGSBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c20-18(17-7-3-6-14-10-11-21-19(14)17)16-9-8-13-4-1-2-5-15(13)12-16/h1-12,18H,20H2.
What are the key properties of 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine?
1-benzothiophen-7-yl(naphthalen-2-yl)methanamine has a molecular weight of 289.40 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl(naphthalen-2-yl)methanamine is sourced from PubChem (CID 81129802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).