1-phenyl-1-quinolin-7-ylethanamine

C17H16N2 — CID 81216667

IUPAC1-phenyl-1-quinolin-7-ylethanamine
SMILESCC(N)(c1ccccc1)c1ccc2cccnc2c1
InChIInChI=1S/C17H16N2/c1-17(18,14-7-3-2-4-8-14)15-10-9-13-6-5-11-19-16(13)12-15/h2-12H,18H2,1H3
InChIKeyIDLMVAAGGXHRFH-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.46
Rot. Bonds2

About 1-phenyl-1-quinolin-7-ylethanamine

1-phenyl-1-quinolin-7-ylethanamine (PubChem CID 81216667) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-phenyl-1-quinolin-7-ylethanamine.

Molecular Properties

Compound Name1-phenyl-1-quinolin-7-ylethanamine
PubChem CID81216667
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-phenyl-1-quinolin-7-ylethanamine
SMILESCC(N)(c1ccccc1)c1ccc2cccnc2c1
InChIInChI=1S/C17H16N2/c1-17(18,14-7-3-2-4-8-14)15-10-9-13-6-5-11-19-16(13)12-15/h2-12H,18H2,1H3
InChIKeyIDLMVAAGGXHRFH-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-1-quinolin-7-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-quinolin-7-ylethanamine?
The IUPAC name of 1-phenyl-1-quinolin-7-ylethanamine (CID 81216667) is 1-phenyl-1-quinolin-7-ylethanamine.
What is the SMILES notation for 1-phenyl-1-quinolin-7-ylethanamine?
The canonical SMILES for 1-phenyl-1-quinolin-7-ylethanamine is CC(N)(c1ccccc1)c1ccc2cccnc2c1.
What is the InChIKey of 1-phenyl-1-quinolin-7-ylethanamine?
The InChIKey is IDLMVAAGGXHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-17(18,14-7-3-2-4-8-14)15-10-9-13-6-5-11-19-16(13)12-15/h2-12H,18H2,1H3.
What are the key properties of 1-phenyl-1-quinolin-7-ylethanamine?
1-phenyl-1-quinolin-7-ylethanamine has a molecular weight of 248.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-quinolin-7-ylethanamine is sourced from PubChem (CID 81216667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).