1-(4-quinolin-3-ylphenyl)ethanamine

C17H16N2 — CID 61025772

IUPAC1-(4-quinolin-3-ylphenyl)ethanamine
SMILESCC(N)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H16N2/c1-12(18)13-6-8-14(9-7-13)16-10-15-4-2-3-5-17(15)19-11-16/h2-12H,18H2,1H3
InChIKeyYHFUABUYTRJFPA-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.92
Rot. Bonds2

About 1-(4-quinolin-3-ylphenyl)ethanamine

1-(4-quinolin-3-ylphenyl)ethanamine (PubChem CID 61025772) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-quinolin-3-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-quinolin-3-ylphenyl)ethanamine
PubChem CID61025772
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-(4-quinolin-3-ylphenyl)ethanamine
SMILESCC(N)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H16N2/c1-12(18)13-6-8-14(9-7-13)16-10-15-4-2-3-5-17(15)19-11-16/h2-12H,18H2,1H3
InChIKeyYHFUABUYTRJFPA-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
Ellipticine
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Indalpine
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Alpha-Ethyltryptamine
CID 8367
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
4,7-Diphenyl-1,10-phenanthroline
CID 72812
Festuclavine
CID 332915
8-Methylquinoline
CID 11910
5-Aminoisoquinoline
CID 70766
3-Aminoquinoline
CID 11375

Frequently Asked Questions

What is the IUPAC name of 1-(4-quinolin-3-ylphenyl)ethanamine?
The IUPAC name of 1-(4-quinolin-3-ylphenyl)ethanamine (CID 61025772) is 1-(4-quinolin-3-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-quinolin-3-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-quinolin-3-ylphenyl)ethanamine is CC(N)c1ccc(-c2cnc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-quinolin-3-ylphenyl)ethanamine?
The InChIKey is YHFUABUYTRJFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12(18)13-6-8-14(9-7-13)16-10-15-4-2-3-5-17(15)19-11-16/h2-12H,18H2,1H3.
What are the key properties of 1-(4-quinolin-3-ylphenyl)ethanamine?
1-(4-quinolin-3-ylphenyl)ethanamine has a molecular weight of 248.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinolin-3-ylphenyl)ethanamine is sourced from PubChem (CID 61025772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).