3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline

C17H20N2 — CID 115550530

IUPAC3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
SMILESCc1cccc(N)c1N1CC(C)Cc2ccccc21
InChIInChI=1S/C17H20N2/c1-12-10-14-7-3-4-9-16(14)19(11-12)17-13(2)6-5-8-15(17)18/h3-9,12H,10-11,18H2,1-2H3
InChIKeyIJQHPCBFVDDIRL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.91
Rot. Bonds1

About 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline

3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline (PubChem CID 115550530) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
PubChem CID115550530
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
SMILESCc1cccc(N)c1N1CC(C)Cc2ccccc21
InChIInChI=1S/C17H20N2/c1-12-10-14-7-3-4-9-16(14)19(11-12)17-13(2)6-5-8-15(17)18/h3-9,12H,10-11,18H2,1-2H3
InChIKeyIJQHPCBFVDDIRL-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)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

3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 106890411
4-methyl-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine
CID 79176421
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63533302
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
[2-methyl-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]hydrazine
CID 80909836
2-chloro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 63520501
2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 79516134
3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 43452427
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
CID 63551419
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The IUPAC name of 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline (CID 115550530) is 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline.
What is the SMILES notation for 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The canonical SMILES for 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline is Cc1cccc(N)c1N1CC(C)Cc2ccccc21.
What is the InChIKey of 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The InChIKey is IJQHPCBFVDDIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-10-14-7-3-4-9-16(14)19(11-12)17-13(2)6-5-8-15(17)18/h3-9,12H,10-11,18H2,1-2H3.
What are the key properties of 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline is sourced from PubChem (CID 115550530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).