(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine

C9H13BrN2 — CID 124704586

IUPAC(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cc(Br)ccn1
InChIInChI=1S/C9H13BrN2/c1-6(2)9(11)8-5-7(10)3-4-12-8/h3-6,9H,11H2,1-2H3/t9-/m1/s1
InChIKeyZSDJKZPFHQXXHV-SECBINFHSA-N
MW229.12 g/mol
LogP2.50
Rot. Bonds2

About (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine

(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine (PubChem CID 124704586) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine
PubChem CID124704586
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cc(Br)ccn1
InChIInChI=1S/C9H13BrN2/c1-6(2)9(11)8-5-7(10)3-4-12-8/h3-6,9H,11H2,1-2H3/t9-/m1/s1
InChIKeyZSDJKZPFHQXXHV-SECBINFHSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine (CID 124704586) is (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine is CC(C)[C@@H](N)c1cc(Br)ccn1.
What is the InChIKey of (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is ZSDJKZPFHQXXHV-SECBINFHSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-6(2)9(11)8-5-7(10)3-4-12-8/h3-6,9H,11H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine?
(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 229.12 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 124704586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).