[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine

C14H15BrN2O2 — CID 104706871

IUPAC[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCOc1ccc(OCc2cccnc2CN)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-11-4-5-14(12(15)7-11)19-9-10-3-2-6-17-13(10)8-16/h2-7H,8-9,16H2,1H3
InChIKeyNALSLFMZJLSPEK-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.89
Rot. Bonds5

About [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine

[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 104706871) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID104706871
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCOc1ccc(OCc2cccnc2CN)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-11-4-5-14(12(15)7-11)19-9-10-3-2-6-17-13(10)8-16/h2-7H,8-9,16H2,1H3
InChIKeyNALSLFMZJLSPEK-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

[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83231723
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895551
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
[3-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895729

Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine (CID 104706871) is [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine is COc1ccc(OCc2cccnc2CN)c(Br)c1.
What is the InChIKey of [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is NALSLFMZJLSPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-18-11-4-5-14(12(15)7-11)19-9-10-3-2-6-17-13(10)8-16/h2-7H,8-9,16H2,1H3.
What are the key properties of [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine?
[3-[(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 [3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 104706871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).