[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine

C14H15BrN2O2 — CID 104796178

IUPAC[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1cncc(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-13-4-2-3-11(6-16)14(13)19-9-10-5-12(15)8-17-7-10/h2-5,7-8H,6,9,16H2,1H3
InChIKeyGKOOIENZAIPJFP-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.89
Rot. Bonds5

About [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine

[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 104796178) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID104796178
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1cncc(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-13-4-2-3-11(6-16)14(13)19-9-10-5-12(15)8-17-7-10/h2-5,7-8H,6,9,16H2,1H3
InChIKeyGKOOIENZAIPJFP-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-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170867827
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
CID 104796055
2-[(5-bromo-3-pyridinyl)methoxy]-3-methylaniline
CID 113454032
2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
CID 104807611
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
CID 60889742
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine (CID 104796178) is [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine is COc1cccc(CN)c1OCc1cncc(Br)c1.
What is the InChIKey of [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is GKOOIENZAIPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-18-13-4-2-3-11(6-16)14(13)19-9-10-5-12(15)8-17-7-10/h2-5,7-8H,6,9,16H2,1H3.
What are the key properties of [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine?
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]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 [2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 104796178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).