1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

C12H12Br2N2S — CID 102835716

IUPAC1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C12H12Br2N2S/c1-8-3-2-4-16-11(8)7-15-6-9-5-10(13)12(14)17-9/h2-5,15H,6-7H2,1H3
InChIKeyWAMOFUKSBIUSDT-UHFFFAOYSA-N
MW376.12 g/mol
LogP4.27
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 102835716) has the molecular formula C12H12Br2N2S and a molecular weight of 376.12 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID102835716
Molecular FormulaC12H12Br2N2S
Molecular Weight376.12 g/mol
Exact Mass373.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C12H12Br2N2S/c1-8-3-2-4-16-11(8)7-15-6-9-5-10(13)12(14)17-9/h2-5,15H,6-7H2,1H3
InChIKeyWAMOFUKSBIUSDT-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305597
N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 63305848
1-(2-bromo-5-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306292
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 63305484
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102834984
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 102836534
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650051
1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 102836527
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305915

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 102835716) is 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is Cc1cccnc1CNCc1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is WAMOFUKSBIUSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2S/c1-8-3-2-4-16-11(8)7-15-6-9-5-10(13)12(14)17-9/h2-5,15H,6-7H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 376.12 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 102835716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).