3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine

C10H15ClN2O — CID 83886505

IUPAC3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1ncc(CC(C)CN)cc1Cl
InChIInChI=1S/C10H15ClN2O/c1-7(5-12)3-8-4-9(11)10(14-2)13-6-8/h4,6-7H,3,5,12H2,1-2H3
InChIKeyLOWKNMUAEIHLLN-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.88
Rot. Bonds4

About 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine

3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine (PubChem CID 83886505) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
PubChem CID83886505
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1ncc(CC(C)CN)cc1Cl
InChIInChI=1S/C10H15ClN2O/c1-7(5-12)3-8-4-9(11)10(14-2)13-6-8/h4,6-7H,3,5,12H2,1-2H3
InChIKeyLOWKNMUAEIHLLN-UHFFFAOYSA-N
XLogP1.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine (CID 83886505) is 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine is COc1ncc(CC(C)CN)cc1Cl.
What is the InChIKey of 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is LOWKNMUAEIHLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(5-12)3-8-4-9(11)10(14-2)13-6-8/h4,6-7H,3,5,12H2,1-2H3.
What are the key properties of 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine?
3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 214.70 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83886505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).