3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine

C12H17BrN2O — CID 104778194

IUPAC3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
SMILESCN(CC1CCCCO1)c1ccncc1Br
InChIInChI=1S/C12H17BrN2O/c1-15(9-10-4-2-3-7-16-10)12-5-6-14-8-11(12)13/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyUFJZTSOMWKEFQT-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.85
Rot. Bonds3

About 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine

3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine (PubChem CID 104778194) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
PubChem CID104778194
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
SMILESCN(CC1CCCCO1)c1ccncc1Br
InChIInChI=1S/C12H17BrN2O/c1-15(9-10-4-2-3-7-16-10)12-5-6-14-8-11(12)13/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyUFJZTSOMWKEFQT-UHFFFAOYSA-N
XLogP2.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
4-bromo-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 114901540
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-bromo-3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 107533332
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 82971512
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 107081253
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605
N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
2-(bromomethyl)-3-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 107081245

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine (CID 104778194) is 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine is CN(CC1CCCCO1)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine?
The InChIKey is UFJZTSOMWKEFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-15(9-10-4-2-3-7-16-10)12-5-6-14-8-11(12)13/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine?
3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine has a molecular weight of 285.18 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 104778194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).