2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline

C21H18N2 — CID 118492961

IUPAC2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline
SMILESNc1ccccc1-c1cccc(C2=CNC3C=CC=CC3=C2)c1
InChIInChI=1S/C21H18N2/c22-20-10-3-2-9-19(20)16-8-5-7-15(12-16)18-13-17-6-1-4-11-21(17)23-14-18/h1-14,21,23H,22H2
InChIKeyUYPUQCFSCCBFSQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.30
Rot. Bonds2

About 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline

2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline (PubChem CID 118492961) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline.

Molecular Properties

Compound Name2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline
PubChem CID118492961
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline
SMILESNc1ccccc1-c1cccc(C2=CNC3C=CC=CC3=C2)c1
InChIInChI=1S/C21H18N2/c22-20-10-3-2-9-19(20)16-8-5-7-15(12-16)18-13-17-6-1-4-11-21(17)23-14-18/h1-14,21,23H,22H2
InChIKeyUYPUQCFSCCBFSQ-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-(1,8a-dihydroquinolin-3-yl)-5-[3,5-di(fluoranthen-3-yl)phenyl]phenyl]-1,2-dihydroquinoline
CID 126746552
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
2-phenylaniline;hydrochloride
CID 5284347
palladium(2+);2-phenylaniline
CID 175718665
CID 159962191
CID 159962191
3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 121301760
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154982020
2-(3-ethoxyphenyl)aniline
CID 57482711
4-(2-aminophenyl)cyclohepta-2,4,6-trien-1-one
CID 174581476
5-(2-aminophenyl)-2-bromoaniline
CID 102241446

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline?
The IUPAC name of 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline (CID 118492961) is 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline.
What is the SMILES notation for 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline?
The canonical SMILES for 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline is Nc1ccccc1-c1cccc(C2=CNC3C=CC=CC3=C2)c1.
What is the InChIKey of 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline?
The InChIKey is UYPUQCFSCCBFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c22-20-10-3-2-9-19(20)16-8-5-7-15(12-16)18-13-17-6-1-4-11-21(17)23-14-18/h1-14,21,23H,22H2.
What are the key properties of 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline?
2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline has a molecular weight of 298.39 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,8a-dihydroquinolin-3-yl)phenyl]aniline is sourced from PubChem (CID 118492961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).