1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine

C15H13BrN2S — CID 105172538

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
SMILESCNC(c1csc(Br)c1)c1cccc2cccnc12
InChIInChI=1S/C15H13BrN2S/c1-17-14(11-8-13(16)19-9-11)12-6-2-4-10-5-3-7-18-15(10)12/h2-9,14,17H,1H3
InChIKeyNVHKOGDRFANBCB-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.37
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine

1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine (PubChem CID 105172538) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
PubChem CID105172538
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
SMILESCNC(c1csc(Br)c1)c1cccc2cccnc12
InChIInChI=1S/C15H13BrN2S/c1-17-14(11-8-13(16)19-9-11)12-6-2-4-10-5-3-7-18-15(10)12/h2-9,14,17H,1H3
InChIKeyNVHKOGDRFANBCB-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
CID 105155395
1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 78917786
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-8-ylmethanamine
CID 106755698
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172541
N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
CID 105021332
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 106647686
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-quinolin-8-ylmethanamine
CID 105172558
N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021278
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523
1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine (CID 105172538) is 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine is CNC(c1csc(Br)c1)c1cccc2cccnc12.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine?
The InChIKey is NVHKOGDRFANBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c1-17-14(11-8-13(16)19-9-11)12-6-2-4-10-5-3-7-18-15(10)12/h2-9,14,17H,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine?
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine has a molecular weight of 333.25 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 105172538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).