N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine

C15H17BrN2S — CID 106902222

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
SMILESBrc1csc(CNCC2CNc3ccccc3C2)c1
InChIInChI=1S/C15H17BrN2S/c16-13-6-14(19-10-13)9-17-7-11-5-12-3-1-2-4-15(12)18-8-11/h1-4,6,10-11,17-18H,5,7-9H2
InChIKeyLTJJPYZWXUFCLK-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.88
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine (PubChem CID 106902222) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
PubChem CID106902222
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
SMILESBrc1csc(CNCC2CNc3ccccc3C2)c1
InChIInChI=1S/C15H17BrN2S/c16-13-6-14(19-10-13)9-17-7-11-5-12-3-1-2-4-15(12)18-8-11/h1-4,6,10-11,17-18H,5,7-9H2
InChIKeyLTJJPYZWXUFCLK-UHFFFAOYSA-N
XLogP3.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine (CID 106902222) is N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine is Brc1csc(CNCC2CNc3ccccc3C2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The InChIKey is LTJJPYZWXUFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-13-6-14(19-10-13)9-17-7-11-5-12-3-1-2-4-15(12)18-8-11/h1-4,6,10-11,17-18H,5,7-9H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine has a molecular weight of 337.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine is sourced from PubChem (CID 106902222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).