(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride

C11H16BrClN2O — CID 171240730

IUPAC(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(Br)cn1)C1CCOCC1
InChIInChI=1S/C11H15BrN2O.ClH/c12-9-1-2-10(14-7-9)11(13)8-3-5-15-6-4-8;/h1-2,7-8,11H,3-6,13H2;1H/t11-;/m0./s1
InChIKeyKNRWCZRDXUHLQP-MERQFXBCSA-N
MW307.62 g/mol
LogP2.69
Rot. Bonds2

About (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride

(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171240730) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171240730
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(Br)cn1)C1CCOCC1
InChIInChI=1S/C11H15BrN2O.ClH/c12-9-1-2-10(14-7-9)11(13)8-3-5-15-6-4-8;/h1-2,7-8,11H,3-6,13H2;1H/t11-;/m0./s1
InChIKeyKNRWCZRDXUHLQP-MERQFXBCSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247446
(R)-(5-bromo-2-pyridinyl)-cyclopropylmethanamine;hydrochloride
CID 171203241
(5-fluoro-2-pyridinyl)-(oxan-4-yl)methanamine
CID 79721967
(S)-(6-bromo-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240760
(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine
CID 113398353
1-[(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
CID 171276278
(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
CID 131118486
cyclopropyl-(5-methyl-2-pyridinyl)methanamine;hydrochloride
CID 171338154
(S)-(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239339
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229627
(S)-(5-bromo-2-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257309
2-[(S)-amino(oxan-4-yl)methyl]-4,6-dibromophenol;hydrochloride
CID 171238683

Frequently Asked Questions

What is the IUPAC name of (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride (CID 171240730) is (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@H](c1ccc(Br)cn1)C1CCOCC1.
What is the InChIKey of (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is KNRWCZRDXUHLQP-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c12-9-1-2-10(14-7-9)11(13)8-3-5-15-6-4-8;/h1-2,7-8,11H,3-6,13H2;1H/t11-;/m0./s1.
What are the key properties of (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride?
(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171240730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).