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

C10H15ClN2O — CID 130632520

IUPAC(1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1ncc([C@H](N)C(C)C)cc1Cl
InChIInChI=1S/C10H15ClN2O/c1-6(2)9(12)7-4-8(11)10(14-3)13-5-7/h4-6,9H,12H2,1-3H3/t9-/m1/s1
InChIKeyUWWIUWUWCXIBBW-SECBINFHSA-N
MW214.70 g/mol
LogP2.40
Rot. Bonds3

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

(1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine (PubChem CID 130632520) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
PubChem CID130632520
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1ncc([C@H](N)C(C)C)cc1Cl
InChIInChI=1S/C10H15ClN2O/c1-6(2)9(12)7-4-8(11)10(14-3)13-5-7/h4-6,9H,12H2,1-3H3/t9-/m1/s1
InChIKeyUWWIUWUWCXIBBW-SECBINFHSA-N
XLogP2.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine (CID 130632520) is (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine is COc1ncc([C@H](N)C(C)C)cc1Cl.
What is the InChIKey of (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is UWWIUWUWCXIBBW-SECBINFHSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(2)9(12)7-4-8(11)10(14-3)13-5-7/h4-6,9H,12H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine?
(1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 214.70 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130632520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).