[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine

C12H13BrN2OS — CID 62322458

IUPAC[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1OCCc1cccs1
InChIInChI=1S/C12H13BrN2OS/c13-10-6-9(7-14)12(15-8-10)16-4-3-11-2-1-5-17-11/h1-2,5-6,8H,3-4,7,14H2
InChIKeyWBHHRZRCHVTHHJ-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.99
Rot. Bonds5

About [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine

[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine (PubChem CID 62322458) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
PubChem CID62322458
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1OCCc1cccs1
InChIInChI=1S/C12H13BrN2OS/c13-10-6-9(7-14)12(15-8-10)16-4-3-11-2-1-5-17-11/h1-2,5-6,8H,3-4,7,14H2
InChIKeyWBHHRZRCHVTHHJ-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine
CID 54966722
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 105368298
2-[5-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63774428
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63937782
[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 81278557
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541
5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
CID 62001343
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine
CID 114217140
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine (CID 62322458) is [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine is NCc1cc(Br)cnc1OCCc1cccs1.
What is the InChIKey of [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine?
The InChIKey is WBHHRZRCHVTHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c13-10-6-9(7-14)12(15-8-10)16-4-3-11-2-1-5-17-11/h1-2,5-6,8H,3-4,7,14H2.
What are the key properties of [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine?
[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine has a molecular weight of 313.22 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62322458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).