(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride

C9H14Cl2N2 — CID 139490132

IUPAC(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)[C@@H](N)c1ccc(Cl)cn1.Cl
InChIInChI=1S/C9H13ClN2.ClH/c1-6(2)9(11)8-4-3-7(10)5-12-8;/h3-6,9H,11H2,1-2H3;1H/t9-;/m1./s1
InChIKeyNOYQOBRWYYRSDJ-SBSPUUFOSA-N
MW221.13 g/mol
LogP2.81
Rot. Bonds2

About (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride

(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride (PubChem CID 139490132) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride
PubChem CID139490132
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC Name(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)[C@@H](N)c1ccc(Cl)cn1.Cl
InChIInChI=1S/C9H13ClN2.ClH/c1-6(2)9(11)8-4-3-7(10)5-12-8;/h3-6,9H,11H2,1-2H3;1H/t9-;/m1./s1
InChIKeyNOYQOBRWYYRSDJ-SBSPUUFOSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride (CID 139490132) is (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride is CC(C)[C@@H](N)c1ccc(Cl)cn1.Cl.
What is the InChIKey of (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is NOYQOBRWYYRSDJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H13ClN2.ClH/c1-6(2)9(11)8-4-3-7(10)5-12-8;/h3-6,9H,11H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride?
(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 221.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 139490132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).