1-(2-chlorophenyl)-1-quinolin-6-ylethanamine

C17H15ClN2 — CID 81215859

IUPAC1-(2-chlorophenyl)-1-quinolin-6-ylethanamine
SMILESCC(N)(c1ccc2ncccc2c1)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2/c1-17(19,14-6-2-3-7-15(14)18)13-8-9-16-12(11-13)5-4-10-20-16/h2-11H,19H2,1H3
InChIKeyXHJBITJJNUKSAD-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.11
Rot. Bonds2

About 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine

1-(2-chlorophenyl)-1-quinolin-6-ylethanamine (PubChem CID 81215859) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-quinolin-6-ylethanamine
PubChem CID81215859
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name1-(2-chlorophenyl)-1-quinolin-6-ylethanamine
SMILESCC(N)(c1ccc2ncccc2c1)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2/c1-17(19,14-6-2-3-7-15(14)18)13-8-9-16-12(11-13)5-4-10-20-16/h2-11H,19H2,1H3
InChIKeyXHJBITJJNUKSAD-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine (CID 81215859) is 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine is CC(N)(c1ccc2ncccc2c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine?
The InChIKey is XHJBITJJNUKSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-17(19,14-6-2-3-7-15(14)18)13-8-9-16-12(11-13)5-4-10-20-16/h2-11H,19H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine?
1-(2-chlorophenyl)-1-quinolin-6-ylethanamine has a molecular weight of 282.77 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-quinolin-6-ylethanamine is sourced from PubChem (CID 81215859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).