N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine

C12H13BrN2S — CID 63305848

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
SMILESCc1cccnc1CNCc1sccc1Br
InChIInChI=1S/C12H13BrN2S/c1-9-3-2-5-15-11(9)7-14-8-12-10(13)4-6-16-12/h2-6,14H,7-8H2,1H3
InChIKeyTURLGPRNWXRZBS-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.50
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine

N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine (PubChem CID 63305848) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
PubChem CID63305848
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
SMILESCc1cccnc1CNCc1sccc1Br
InChIInChI=1S/C12H13BrN2S/c1-9-3-2-5-15-11(9)7-14-8-12-10(13)4-6-16-12/h2-6,14H,7-8H2,1H3
InChIKeyTURLGPRNWXRZBS-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102835716
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628
N-[(3-bromothiophen-2-yl)methyl]-8-methylquinolin-5-amine
CID 115380059
1-(2-bromo-5-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306292
N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine
CID 78943500
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
N-[(3-bromothiophen-2-yl)methyl]-1-(3,5-dimethylphenyl)methanamine
CID 78943535
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305597
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305915

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine (CID 63305848) is N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine is Cc1cccnc1CNCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine?
The InChIKey is TURLGPRNWXRZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-9-3-2-5-15-11(9)7-14-8-12-10(13)4-6-16-12/h2-6,14H,7-8H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine has a molecular weight of 297.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 63305848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).