2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine

C9H13BrN2 — CID 126980203

IUPAC2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccncc1Br
InChIInChI=1S/C9H13BrN2/c1-9(2,6-11)7-3-4-12-5-8(7)10/h3-5H,6,11H2,1-2H3
InChIKeyCSPOHJMNPDYZFC-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.08
Rot. Bonds2

About 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine

2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine (PubChem CID 126980203) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine
PubChem CID126980203
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccncc1Br
InChIInChI=1S/C9H13BrN2/c1-9(2,6-11)7-3-4-12-5-8(7)10/h3-5H,6,11H2,1-2H3
InChIKeyCSPOHJMNPDYZFC-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine (CID 126980203) is 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine is CC(C)(CN)c1ccncc1Br.
What is the InChIKey of 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is CSPOHJMNPDYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-9(2,6-11)7-3-4-12-5-8(7)10/h3-5H,6,11H2,1-2H3.
What are the key properties of 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine?
2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 229.12 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 126980203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).