2-(4-chlorophenyl)-1-quinolin-3-ylethanamine

C17H15ClN2 — CID 60924752

IUPAC2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C17H15ClN2/c18-15-7-5-12(6-8-15)9-16(19)14-10-13-3-1-2-4-17(13)20-11-14/h1-8,10-11,16H,9,19H2
InChIKeyNKALLVLBNYYZOH-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine

2-(4-chlorophenyl)-1-quinolin-3-ylethanamine (PubChem CID 60924752) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
PubChem CID60924752
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C17H15ClN2/c18-15-7-5-12(6-8-15)9-16(19)14-10-13-3-1-2-4-17(13)20-11-14/h1-8,10-11,16H,9,19H2
InChIKeyNKALLVLBNYYZOH-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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Related Compounds

2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
CID 61373627
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
(4-chlorophenyl)-quinolin-3-ylmethanol
CID 20794845
(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine
CID 66054039
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol
CID 63022138
[(4-chloro-2-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105217884
2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine (CID 60924752) is 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine is NC(Cc1ccc(Cl)cc1)c1cnc2ccccc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine?
The InChIKey is NKALLVLBNYYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-15-7-5-12(6-8-15)9-16(19)14-10-13-3-1-2-4-17(13)20-11-14/h1-8,10-11,16H,9,19H2.
What are the key properties of 2-(4-chlorophenyl)-1-quinolin-3-ylethanamine?
2-(4-chlorophenyl)-1-quinolin-3-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-(4-chlorophenyl)-1-quinolin-3-ylethanamine is sourced from PubChem (CID 60924752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).