[3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine

C13H13BrN2O — CID 82828357

IUPAC[3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine
SMILESNCc1ncccc1OCc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O/c14-11-5-3-10(4-6-11)9-17-13-2-1-7-16-12(13)8-15/h1-7H,8-9,15H2
InChIKeyISGBUZSIANWOHP-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.88
Rot. Bonds4

About [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine

[3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine (PubChem CID 82828357) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine
PubChem CID82828357
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine
SMILESNCc1ncccc1OCc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O/c14-11-5-3-10(4-6-11)9-17-13-2-1-7-16-12(13)8-15/h1-7H,8-9,15H2
InChIKeyISGBUZSIANWOHP-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-bromophenyl)methoxy]-2-pyridinyl]hydrazine
CID 82056386
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 107097306
1-bromo-4-[[2-(bromomethyl)phenoxy]methyl]benzene
CID 43141593
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
4-[(2-bromo-3-pyridinyl)oxymethyl]benzonitrile
CID 47808098
2-chloro-3-[(4-iodophenyl)methoxy]pyridine
CID 65476581
[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine
CID 82828118
2-oxo-3-(3-phenylmethoxy-2-pyridinyl)propanoic acid
CID 90838108

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine (CID 82828357) is [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine is NCc1ncccc1OCc1ccc(Br)cc1.
What is the InChIKey of [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine?
The InChIKey is ISGBUZSIANWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-11-5-3-10(4-6-11)9-17-13-2-1-7-16-12(13)8-15/h1-7H,8-9,15H2.
What are the key properties of [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine?
[3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine has a molecular weight of 293.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 82828357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).