2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine

C19H20N2 — CID 91665334

IUPAC2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine
SMILESCc1ccc(C)c(-c2cc(CCN)c3ccccc3n2)c1
InChIInChI=1S/C19H20N2/c1-13-7-8-14(2)17(11-13)19-12-15(9-10-20)16-5-3-4-6-18(16)21-19/h3-8,11-12H,9-10,20H2,1-2H3
InChIKeyOLYKYSFASBAWEG-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.02
Rot. Bonds3

About 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine

2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine (PubChem CID 91665334) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine
PubChem CID91665334
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine
SMILESCc1ccc(C)c(-c2cc(CCN)c3ccccc3n2)c1
InChIInChI=1S/C19H20N2/c1-13-7-8-14(2)17(11-13)19-12-15(9-10-20)16-5-3-4-6-18(16)21-19/h3-8,11-12H,9-10,20H2,1-2H3
InChIKeyOLYKYSFASBAWEG-UHFFFAOYSA-N
XLogP4.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine (CID 91665334) is 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine is Cc1ccc(C)c(-c2cc(CCN)c3ccccc3n2)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine?
The InChIKey is OLYKYSFASBAWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-7-8-14(2)17(11-13)19-12-15(9-10-20)16-5-3-4-6-18(16)21-19/h3-8,11-12H,9-10,20H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine?
2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine is sourced from PubChem (CID 91665334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).