[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine

C17H15BrN2O — CID 80637587

IUPAC[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C17H15BrN2O/c1-11-8-12(9-19)10-20-17(11)21-15-7-6-13-4-2-3-5-14(13)16(15)18/h2-8,10H,9,19H2,1H3
InChIKeyDVNHXZVSDSXWQE-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.56
Rot. Bonds3

About [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine

[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine (PubChem CID 80637587) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
PubChem CID80637587
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C17H15BrN2O/c1-11-8-12(9-19)10-20-17(11)21-15-7-6-13-4-2-3-5-14(13)16(15)18/h2-8,10H,9,19H2,1H3
InChIKeyDVNHXZVSDSXWQE-UHFFFAOYSA-N
XLogP4.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633368
[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine
CID 80633747
[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065
2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63941373
[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
CID 157448294
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
(6-methoxy-5-methyl-3-pyridinyl)methanamine
CID 59238572
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63803686
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651

Frequently Asked Questions

What is the IUPAC name of [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine (CID 80637587) is [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine is Cc1cc(CN)cnc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine?
The InChIKey is DVNHXZVSDSXWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11-8-12(9-19)10-20-17(11)21-15-7-6-13-4-2-3-5-14(13)16(15)18/h2-8,10H,9,19H2,1H3.
What are the key properties of [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine?
[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine has a molecular weight of 343.22 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 80637587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).