(1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine

C11H17ClN2 — CID 130619400

IUPAC(1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine
SMILESCc1cc(Cl)c([C@H](N)C(C)C)c(C)n1
InChIInChI=1S/C11H17ClN2/c1-6(2)11(13)10-8(4)14-7(3)5-9(10)12/h5-6,11H,13H2,1-4H3/t11-/m1/s1
InChIKeySCOHUZKRZPXDSV-LLVKDONJSA-N
MW212.72 g/mol
LogP3.01
Rot. Bonds2

About (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine

(1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine (PubChem CID 130619400) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine
PubChem CID130619400
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name(1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine
SMILESCc1cc(Cl)c([C@H](N)C(C)C)c(C)n1
InChIInChI=1S/C11H17ClN2/c1-6(2)11(13)10-8(4)14-7(3)5-9(10)12/h5-6,11H,13H2,1-4H3/t11-/m1/s1
InChIKeySCOHUZKRZPXDSV-LLVKDONJSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine (CID 130619400) is (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine is Cc1cc(Cl)c([C@H](N)C(C)C)c(C)n1.
What is the InChIKey of (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is SCOHUZKRZPXDSV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-6(2)11(13)10-8(4)14-7(3)5-9(10)12/h5-6,11H,13H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine?
(1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 212.72 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130619400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).