1-(4-quinolin-5-ylphenyl)ethanamine

C17H16N2 — CID 81224129

IUPAC1-(4-quinolin-5-ylphenyl)ethanamine
SMILESCC(N)c1ccc(-c2cccc3ncccc23)cc1
InChIInChI=1S/C17H16N2/c1-12(18)13-7-9-14(10-8-13)15-4-2-6-17-16(15)5-3-11-19-17/h2-12H,18H2,1H3
InChIKeyAPSQDLFOPJQHHC-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.92
Rot. Bonds2

About 1-(4-quinolin-5-ylphenyl)ethanamine

1-(4-quinolin-5-ylphenyl)ethanamine (PubChem CID 81224129) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-quinolin-5-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-quinolin-5-ylphenyl)ethanamine
PubChem CID81224129
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-(4-quinolin-5-ylphenyl)ethanamine
SMILESCC(N)c1ccc(-c2cccc3ncccc23)cc1
InChIInChI=1S/C17H16N2/c1-12(18)13-7-9-14(10-8-13)15-4-2-6-17-16(15)5-3-11-19-17/h2-12H,18H2,1H3
InChIKeyAPSQDLFOPJQHHC-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

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Mesulergine
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Festuclavine
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8-Methylquinoline
CID 11910
3-Aminoquinoline
CID 11375

Frequently Asked Questions

What is the IUPAC name of 1-(4-quinolin-5-ylphenyl)ethanamine?
The IUPAC name of 1-(4-quinolin-5-ylphenyl)ethanamine (CID 81224129) is 1-(4-quinolin-5-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-quinolin-5-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-quinolin-5-ylphenyl)ethanamine is CC(N)c1ccc(-c2cccc3ncccc23)cc1.
What is the InChIKey of 1-(4-quinolin-5-ylphenyl)ethanamine?
The InChIKey is APSQDLFOPJQHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12(18)13-7-9-14(10-8-13)15-4-2-6-17-16(15)5-3-11-19-17/h2-12H,18H2,1H3.
What are the key properties of 1-(4-quinolin-5-ylphenyl)ethanamine?
1-(4-quinolin-5-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-5-ylphenyl)ethanamine is sourced from PubChem (CID 81224129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).