2-(2-methylquinolin-3-yl)aniline

C16H14N2 — CID 164679220

IUPAC2-(2-methylquinolin-3-yl)aniline
SMILESCc1nc2ccccc2cc1-c1ccccc1N
InChIInChI=1S/C16H14N2/c1-11-14(13-7-3-4-8-15(13)17)10-12-6-2-5-9-16(12)18-11/h2-10H,17H2,1H3
InChIKeyPBVBLBQJVMJZTG-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.79
Rot. Bonds1

About 2-(2-methylquinolin-3-yl)aniline

2-(2-methylquinolin-3-yl)aniline (PubChem CID 164679220) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-methylquinolin-3-yl)aniline.

Molecular Properties

Compound Name2-(2-methylquinolin-3-yl)aniline
PubChem CID164679220
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-(2-methylquinolin-3-yl)aniline
SMILESCc1nc2ccccc2cc1-c1ccccc1N
InChIInChI=1S/C16H14N2/c1-11-14(13-7-3-4-8-15(13)17)10-12-6-2-5-9-16(12)18-11/h2-10H,17H2,1H3
InChIKeyPBVBLBQJVMJZTG-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[(2-methylquinolin-3-yl)methyl]aniline
CID 160973858
acridine;2-methylaniline
CID 174440557
2-(2-methylquinolin-3-yl)-1,3-benzothiazole
CID 163587218
2-methyl-3-(3-methylphenyl)quinoline
CID 126727979
2-methyl-3-(1H-pyrazol-5-yl)quinoline
CID 72698950
2-quinolin-3-ylaniline
CID 4134401
2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline
CID 69385619
3-tert-butyl-2-methylquinoline
CID 89390827
2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine
CID 163409701
3-phenylquinolin-2-amine;hydrochloride
CID 43865994
acridine;ethane
CID 123684759
acridine
CID 21226281

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-3-yl)aniline?
The IUPAC name of 2-(2-methylquinolin-3-yl)aniline (CID 164679220) is 2-(2-methylquinolin-3-yl)aniline.
What is the SMILES notation for 2-(2-methylquinolin-3-yl)aniline?
The canonical SMILES for 2-(2-methylquinolin-3-yl)aniline is Cc1nc2ccccc2cc1-c1ccccc1N.
What is the InChIKey of 2-(2-methylquinolin-3-yl)aniline?
The InChIKey is PBVBLBQJVMJZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-14(13-7-3-4-8-15(13)17)10-12-6-2-5-9-16(12)18-11/h2-10H,17H2,1H3.
What are the key properties of 2-(2-methylquinolin-3-yl)aniline?
2-(2-methylquinolin-3-yl)aniline has a molecular weight of 234.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-3-yl)aniline is sourced from PubChem (CID 164679220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).