[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine

C16H13BrN2O — CID 81251221

IUPAC[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
SMILESNCc1cnccc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H13BrN2O/c17-14-3-1-12-8-15(4-2-11(12)7-14)20-16-5-6-19-10-13(16)9-18/h1-8,10H,9,18H2
InChIKeyBDDRMYAAEOPKGH-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.25
Rot. Bonds3

About [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine

[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine (PubChem CID 81251221) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
PubChem CID81251221
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
SMILESNCc1cnccc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H13BrN2O/c17-14-3-1-12-8-15(4-2-11(12)7-14)20-16-5-6-19-10-13(16)9-18/h1-8,10H,9,18H2
InChIKeyBDDRMYAAEOPKGH-UHFFFAOYSA-N
XLogP4.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345
3-[[3-(aminomethyl)-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251232
[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 81251189
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
CID 107105947
(2-naphthalen-2-yloxyphenyl)methanamine
CID 19627401
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81250294
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975

Frequently Asked Questions

What is the IUPAC name of [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine?
The IUPAC name of [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine (CID 81251221) is [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine is NCc1cnccc1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine?
The InChIKey is BDDRMYAAEOPKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-14-3-1-12-8-15(4-2-11(12)7-14)20-16-5-6-19-10-13(16)9-18/h1-8,10H,9,18H2.
What are the key properties of [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine?
[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine has a molecular weight of 329.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 81251221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).