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

C13H13BrN2O — CID 82828121

IUPAC[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
SMILESNCc1cccnc1OCc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O/c14-12-5-1-3-10(7-12)9-17-13-11(8-15)4-2-6-16-13/h1-7H,8-9,15H2
InChIKeyGURQIISYMMWTSC-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.88
Rot. Bonds4

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

[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine (PubChem CID 82828121) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
PubChem CID82828121
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
SMILESNCc1cccnc1OCc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O/c14-12-5-1-3-10(7-12)9-17-13-11(8-15)4-2-6-16-13/h1-7H,8-9,15H2
InChIKeyGURQIISYMMWTSC-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

N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82832222
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
[3-[[(3-bromophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62893469
[2-(3-ethylphenoxy)-3-pyridinyl]methanamine
CID 24706317

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine (CID 82828121) is [2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine is NCc1cccnc1OCc1cccc(Br)c1.
What is the InChIKey of [2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The InChIKey is GURQIISYMMWTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-5-1-3-10(7-12)9-17-13-11(8-15)4-2-6-16-13/h1-7H,8-9,15H2.
What are the key properties of [2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine?
[2-[(3-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-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 82828121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).