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

C17H15ClN2 — CID 63095273

IUPAC2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
SMILESNC(Cc1ccccc1Cl)c1ccc2ncccc2c1
InChIInChI=1S/C17H15ClN2/c18-15-6-2-1-4-12(15)11-16(19)13-7-8-17-14(10-13)5-3-9-20-17/h1-10,16H,11,19H2
InChIKeyUYIYSRGNKVFKOT-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.13
Rot. Bonds3

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

2-(2-chlorophenyl)-1-quinolin-6-ylethanamine (PubChem CID 63095273) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
PubChem CID63095273
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
SMILESNC(Cc1ccccc1Cl)c1ccc2ncccc2c1
InChIInChI=1S/C17H15ClN2/c18-15-6-2-1-4-12(15)11-16(19)13-7-8-17-14(10-13)5-3-9-20-17/h1-10,16H,11,19H2
InChIKeyUYIYSRGNKVFKOT-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine (CID 63095273) is 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine is NC(Cc1ccccc1Cl)c1ccc2ncccc2c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine?
The InChIKey is UYIYSRGNKVFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-15-6-2-1-4-12(15)11-16(19)13-7-8-17-14(10-13)5-3-9-20-17/h1-10,16H,11,19H2.
What are the key properties of 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine?
2-(2-chlorophenyl)-1-quinolin-6-ylethanamine has a molecular weight of 282.77 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-quinolin-6-ylethanamine is sourced from PubChem (CID 63095273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).