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

C13H13BrN2O — CID 82828202

IUPAC[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
SMILESNCc1cccnc1OCc1ccccc1Br
InChIInChI=1S/C13H13BrN2O/c14-12-6-2-1-4-11(12)9-17-13-10(8-15)5-3-7-16-13/h1-7H,8-9,15H2
InChIKeyBNTCWOUCSYHEQU-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.88
Rot. Bonds4

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

[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine (PubChem CID 82828202) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
PubChem CID82828202
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
SMILESNCc1cccnc1OCc1ccccc1Br
InChIInChI=1S/C13H13BrN2O/c14-12-6-2-1-4-11(12)9-17-13-10(8-15)5-3-7-16-13/h1-7H,8-9,15H2
InChIKeyBNTCWOUCSYHEQU-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-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine
CID 82827554
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252
1-[2-[(2-bromophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 82831764
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828121
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 82831614
2-[(2-bromophenyl)methoxy]pyridine
CID 24799165
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
(2-but-3-enoxy-3-pyridinyl)methanamine
CID 62289505
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The IUPAC name of [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine (CID 82828202) is [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine is NCc1cccnc1OCc1ccccc1Br.
What is the InChIKey of [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The InChIKey is BNTCWOUCSYHEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-6-2-1-4-11(12)9-17-13-10(8-15)5-3-7-16-13/h1-7H,8-9,15H2.
What are the key properties of [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine?
[2-[(2-bromophenyl)methoxy]-3-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 [2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 82828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).