1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine

C16H14BrNS — CID 63797585

IUPAC1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
SMILESNC(Cc1ccc2ccccc2c1)c1sccc1Br
InChIInChI=1S/C16H14BrNS/c17-14-7-8-19-16(14)15(18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,15H,10,18H2
InChIKeyOKTLCTKQROYXTA-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.91
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine

1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine (PubChem CID 63797585) has the molecular formula C16H14BrNS and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
PubChem CID63797585
Molecular FormulaC16H14BrNS
Molecular Weight332.27 g/mol
Exact Mass331.00
IUPAC Name1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
SMILESNC(Cc1ccc2ccccc2c1)c1sccc1Br
InChIInChI=1S/C16H14BrNS/c17-14-7-8-19-16(14)15(18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,15H,10,18H2
InChIKeyOKTLCTKQROYXTA-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine (CID 63797585) is 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine is NC(Cc1ccc2ccccc2c1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine?
The InChIKey is OKTLCTKQROYXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNS/c17-14-7-8-19-16(14)15(18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9,15H,10,18H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine?
1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine has a molecular weight of 332.27 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine is sourced from PubChem (CID 63797585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).