(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride

C14H18Cl2N2 — CID 171251439

IUPAC(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc2ccccc2nc1Cl.Cl
InChIInChI=1S/C14H17ClN2.ClH/c1-14(2,3)12(16)10-8-9-6-4-5-7-11(9)17-13(10)15;/h4-8,12H,16H2,1-3H3;1H/t12-;/m0./s1
InChIKeyIILQVEWIHUZDOP-YDALLXLXSA-N
MW285.22 g/mol
LogP4.36
Rot. Bonds1

About (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride

(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171251439) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171251439
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc2ccccc2nc1Cl.Cl
InChIInChI=1S/C14H17ClN2.ClH/c1-14(2,3)12(16)10-8-9-6-4-5-7-11(9)17-13(10)15;/h4-8,12H,16H2,1-3H3;1H/t12-;/m0./s1
InChIKeyIILQVEWIHUZDOP-YDALLXLXSA-N
XLogP4.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 171251439) is (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride is CC(C)(C)[C@@H](N)c1cc2ccccc2nc1Cl.Cl.
What is the InChIKey of (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is IILQVEWIHUZDOP-YDALLXLXSA-N. The full InChI is InChI=1S/C14H17ClN2.ClH/c1-14(2,3)12(16)10-8-9-6-4-5-7-11(9)17-13(10)15;/h4-8,12H,16H2,1-3H3;1H/t12-;/m0./s1.
What are the key properties of (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 285.22 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171251439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).