1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine

C12H17BrN2O — CID 107136699

IUPAC1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1cncc(Br)c1)C1CCCOC1
InChIInChI=1S/C12H17BrN2O/c1-14-12(9-3-2-4-16-8-9)10-5-11(13)7-15-6-10/h5-7,9,12,14H,2-4,8H2,1H3
InChIKeyXMFZFVGERAQYKJ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.53
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine

1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 107136699) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID107136699
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1cncc(Br)c1)C1CCCOC1
InChIInChI=1S/C12H17BrN2O/c1-14-12(9-3-2-4-16-8-9)10-5-11(13)7-15-6-10/h5-7,9,12,14H,2-4,8H2,1H3
InChIKeyXMFZFVGERAQYKJ-UHFFFAOYSA-N
XLogP2.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
CID 107138816
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
1-(3-bromo-5-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856457
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 104541616
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 102827463
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107136313
N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 63012396
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
[(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105251071

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine (CID 107136699) is 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(c1cncc(Br)c1)C1CCCOC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is XMFZFVGERAQYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-14-12(9-3-2-4-16-8-9)10-5-11(13)7-15-6-10/h5-7,9,12,14H,2-4,8H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 285.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107136699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).