5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine

C13H19BrN2O — CID 115148665

IUPAC5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCCC1CCOCC1
InChIInChI=1S/C13H19BrN2O/c1-10-8-12(14)9-16-13(10)15-5-2-11-3-6-17-7-4-11/h8-9,11H,2-7H2,1H3,(H,15,16)
InChIKeyHQJYRHZLXKMPJV-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.38
Rot. Bonds4

About 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine

5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine (PubChem CID 115148665) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
PubChem CID115148665
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCCC1CCOCC1
InChIInChI=1S/C13H19BrN2O/c1-10-8-12(14)9-16-13(10)15-5-2-11-3-6-17-7-4-11/h8-9,11H,2-7H2,1H3,(H,15,16)
InChIKeyHQJYRHZLXKMPJV-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 79718760
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
CID 168730254

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine (CID 115148665) is 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine is Cc1cc(Br)cnc1NCCC1CCOCC1.
What is the InChIKey of 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine?
The InChIKey is HQJYRHZLXKMPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-8-12(14)9-16-13(10)15-5-2-11-3-6-17-7-4-11/h8-9,11H,2-7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine?
5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine has a molecular weight of 299.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115148665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).