[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine

C14H15BrN2O2 — CID 106908648

IUPAC[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCOc1ccc(OCc2cccc(CN)n2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-12-5-6-14(13(15)7-12)19-9-11-4-2-3-10(8-16)17-11/h2-7H,8-9,16H2,1H3
InChIKeyXUMDOCMOACWBLT-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.89
Rot. Bonds5

About [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine

[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 106908648) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID106908648
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCOc1ccc(OCc2cccc(CN)n2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-12-5-6-14(13(15)7-12)19-9-11-4-2-3-10(8-16)17-11/h2-7H,8-9,16H2,1H3
InChIKeyXUMDOCMOACWBLT-UHFFFAOYSA-N
XLogP2.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
5-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63990956
6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403480
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164

Frequently Asked Questions

What is the IUPAC name of [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine (CID 106908648) is [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine is COc1ccc(OCc2cccc(CN)n2)c(Br)c1.
What is the InChIKey of [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is XUMDOCMOACWBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-18-12-5-6-14(13(15)7-12)19-9-11-4-2-3-10(8-16)17-11/h2-7H,8-9,16H2,1H3.
What are the key properties of [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine?
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 323.19 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106908648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).