(1S)-1-(2-chloroquinolin-3-yl)ethanamine

C11H11ClN2 — CID 130699485

IUPAC(1S)-1-(2-chloroquinolin-3-yl)ethanamine
SMILESC[C@H](N)c1cc2ccccc2nc1Cl
InChIInChI=1S/C11H11ClN2/c1-7(13)9-6-8-4-2-3-5-10(8)14-11(9)12/h2-7H,13H2,1H3/t7-/m0/s1
InChIKeyWZKAAQXWAGETQW-ZETCQYMHSA-N
MW206.68 g/mol
LogP2.91
Rot. Bonds1

About (1S)-1-(2-chloroquinolin-3-yl)ethanamine

(1S)-1-(2-chloroquinolin-3-yl)ethanamine (PubChem CID 130699485) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is (1S)-1-(2-chloroquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chloroquinolin-3-yl)ethanamine
PubChem CID130699485
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name(1S)-1-(2-chloroquinolin-3-yl)ethanamine
SMILESC[C@H](N)c1cc2ccccc2nc1Cl
InChIInChI=1S/C11H11ClN2/c1-7(13)9-6-8-4-2-3-5-10(8)14-11(9)12/h2-7H,13H2,1H3/t7-/m0/s1
InChIKeyWZKAAQXWAGETQW-ZETCQYMHSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251439
(1S)-1-(2-chloroquinolin-3-yl)butan-1-amine
CID 131617747
2-amino-2-(2-chloroquinolin-3-yl)ethanol
CID 116985247
2-amino-2-(2-chloroquinolin-3-yl)acetic acid
CID 4112789
2-(2-chloroquinolin-3-yl)propanoic acid
CID 116985221
(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
CID 171234837
1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine
CID 91322838
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
CID 116985269
methyl (2R)-2-amino-2-(2-chloroquinolin-3-yl)acetate;hydrochloride
CID 171234856
2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine
CID 116985271
(R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine
CID 171215211
N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 154591603

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloroquinolin-3-yl)ethanamine?
The IUPAC name of (1S)-1-(2-chloroquinolin-3-yl)ethanamine (CID 130699485) is (1S)-1-(2-chloroquinolin-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(2-chloroquinolin-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(2-chloroquinolin-3-yl)ethanamine is C[C@H](N)c1cc2ccccc2nc1Cl.
What is the InChIKey of (1S)-1-(2-chloroquinolin-3-yl)ethanamine?
The InChIKey is WZKAAQXWAGETQW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-7(13)9-6-8-4-2-3-5-10(8)14-11(9)12/h2-7H,13H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(2-chloroquinolin-3-yl)ethanamine?
(1S)-1-(2-chloroquinolin-3-yl)ethanamine has a molecular weight of 206.68 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloroquinolin-3-yl)ethanamine is sourced from PubChem (CID 130699485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).