1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine

C12H13BrN2OS — CID 114054432

IUPAC1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)c1ncccc1OC
InChIInChI=1S/C12H13BrN2OS/c1-14-11(8-6-10(13)17-7-8)12-9(16-2)4-3-5-15-12/h3-7,11,14H,1-2H3
InChIKeyVQTAAFWRQVYANO-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.22
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine

1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine (PubChem CID 114054432) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine
PubChem CID114054432
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)c1ncccc1OC
InChIInChI=1S/C12H13BrN2OS/c1-14-11(8-6-10(13)17-7-8)12-9(16-2)4-3-5-15-12/h3-7,11,14H,1-2H3
InChIKeyVQTAAFWRQVYANO-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine
CID 114054416
1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
CID 114053820
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105141025
1-(5-bromothiophen-3-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 130719467
1-(5-bromofuran-2-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107961154
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 79697755
1-(5-bromothiophen-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 105077014
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803
2-(dichloromethyl)-3-methoxypyridine
CID 141354456

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine (CID 114054432) is 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine is CNC(c1csc(Br)c1)c1ncccc1OC.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine?
The InChIKey is VQTAAFWRQVYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-14-11(8-6-10(13)17-7-8)12-9(16-2)4-3-5-15-12/h3-7,11,14H,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine?
1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine has a molecular weight of 313.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114054432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).