(1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine

C11H17ClN2O — CID 175806193

IUPAC(1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCN[C@H](c1cc(Cl)ccn1)C(C)(C)OC
InChIInChI=1S/C11H17ClN2O/c1-11(2,15-4)10(13-3)9-7-8(12)5-6-14-9/h5-7,10,13H,1-4H3/t10-/m1/s1
InChIKeyCTHVZGOCICMALM-SNVBAGLBSA-N
MW228.72 g/mol
LogP2.42
Rot. Bonds4

About (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine

(1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 175806193) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
PubChem CID175806193
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name(1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCN[C@H](c1cc(Cl)ccn1)C(C)(C)OC
InChIInChI=1S/C11H17ClN2O/c1-11(2,15-4)10(13-3)9-7-8(12)5-6-14-9/h5-7,10,13H,1-4H3/t10-/m1/s1
InChIKeyCTHVZGOCICMALM-SNVBAGLBSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine (CID 175806193) is (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine is CN[C@H](c1cc(Cl)ccn1)C(C)(C)OC.
What is the InChIKey of (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is CTHVZGOCICMALM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-11(2,15-4)10(13-3)9-7-8(12)5-6-14-9/h5-7,10,13H,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine?
(1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 228.72 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 175806193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).