N-[(1S)-1-phenylethyl]quinolin-4-amine

C17H16N2 — CID 10977813

IUPACN-[(1S)-1-phenylethyl]quinolin-4-amine
SMILESC[C@H](Nc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C17H16N2/c1-13(14-7-3-2-4-8-14)19-17-11-12-18-16-10-6-5-9-15(16)17/h2-13H,1H3,(H,18,19)/t13-/m0/s1
InChIKeyGVCMADXYHWUCRU-ZDUSSCGKSA-N
MW248.33 g/mol
LogP4.41
Rot. Bonds3

About N-[(1S)-1-phenylethyl]quinolin-4-amine

N-[(1S)-1-phenylethyl]quinolin-4-amine (PubChem CID 10977813) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]quinolin-4-amine
PubChem CID10977813
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN-[(1S)-1-phenylethyl]quinolin-4-amine
SMILESC[C@H](Nc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C17H16N2/c1-13(14-7-3-2-4-8-14)19-17-11-12-18-16-10-6-5-9-15(16)17/h2-13H,1H3,(H,18,19)/t13-/m0/s1
InChIKeyGVCMADXYHWUCRU-ZDUSSCGKSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-phenylethyl]quinolin-4-amine 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 N-[(1S)-1-phenylethyl]quinolin-4-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]quinolin-4-amine (CID 10977813) is N-[(1S)-1-phenylethyl]quinolin-4-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]quinolin-4-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]quinolin-4-amine is C[C@H](Nc1ccnc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]quinolin-4-amine?
The InChIKey is GVCMADXYHWUCRU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N2/c1-13(14-7-3-2-4-8-14)19-17-11-12-18-16-10-6-5-9-15(16)17/h2-13H,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]quinolin-4-amine?
N-[(1S)-1-phenylethyl]quinolin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]quinolin-4-amine is sourced from PubChem (CID 10977813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).