[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine

C13H13BrN2O — CID 63887682

IUPAC[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2ccccc2Br)ccn1
InChIInChI=1S/C13H13BrN2O/c14-12-3-1-2-4-13(12)17-9-10-5-6-16-11(7-10)8-15/h1-7H,8-9,15H2
InChIKeyLRHDPGFMYGDNTN-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.88
Rot. Bonds4

About [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine

[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 63887682) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID63887682
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2ccccc2Br)ccn1
InChIInChI=1S/C13H13BrN2O/c14-12-3-1-2-4-13(12)17-9-10-5-6-16-11(7-10)8-15/h1-7H,8-9,15H2
InChIKeyLRHDPGFMYGDNTN-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

[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63882074
[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697399
(2-bromophenoxy)methanamine
CID 57278354
[4-(2-bromophenyl)-2-pyridinyl]methanamine
CID 82379970
[4-[(2-bromophenyl)sulfinylmethyl]-2-pyridinyl]methanamine
CID 81328757
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347
[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 63887885

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine (CID 63887682) is [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine is NCc1cc(COc2ccccc2Br)ccn1.
What is the InChIKey of [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is LRHDPGFMYGDNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-3-1-2-4-13(12)17-9-10-5-6-16-11(7-10)8-15/h1-7H,8-9,15H2.
What are the key properties of [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine?
[4-[(2-bromophenoxy)methyl]-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 [4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63887682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).