[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine

C13H12Br2N2O — CID 107741287

IUPAC[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)c(OCc2cccnc2)c(Br)c1
InChIInChI=1S/C13H12Br2N2O/c14-11-4-10(6-16)5-12(15)13(11)18-8-9-2-1-3-17-7-9/h1-5,7H,6,8,16H2
InChIKeyAIUNPMDUOKIHLA-UHFFFAOYSA-N
MW372.06 g/mol
LogP3.64
Rot. Bonds4

About [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine

[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine (PubChem CID 107741287) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
PubChem CID107741287
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)c(OCc2cccnc2)c(Br)c1
InChIInChI=1S/C13H12Br2N2O/c14-11-4-10(6-16)5-12(15)13(11)18-8-9-2-1-3-17-7-9/h1-5,7H,6,8,16H2
InChIKeyAIUNPMDUOKIHLA-UHFFFAOYSA-N
XLogP3.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 107742755
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]pyridine
CID 61392148
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine (CID 107741287) is [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine is NCc1cc(Br)c(OCc2cccnc2)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine?
The InChIKey is AIUNPMDUOKIHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c14-11-4-10(6-16)5-12(15)13(11)18-8-9-2-1-3-17-7-9/h1-5,7H,6,8,16H2.
What are the key properties of [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine?
[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine has a molecular weight of 372.06 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 107741287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).