2-methyl-6-(quinolin-6-ylmethoxy)aniline

C17H16N2O — CID 43438024

IUPAC2-methyl-6-(quinolin-6-ylmethoxy)aniline
SMILESCc1cccc(OCc2ccc3ncccc3c2)c1N
InChIInChI=1S/C17H16N2O/c1-12-4-2-6-16(17(12)18)20-11-13-7-8-15-14(10-13)5-3-9-19-15/h2-10H,11,18H2,1H3
InChIKeyZDZKNNCRYITZMD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.70
Rot. Bonds3

About 2-methyl-6-(quinolin-6-ylmethoxy)aniline

2-methyl-6-(quinolin-6-ylmethoxy)aniline (PubChem CID 43438024) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-6-(quinolin-6-ylmethoxy)aniline.

Molecular Properties

Compound Name2-methyl-6-(quinolin-6-ylmethoxy)aniline
PubChem CID43438024
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-methyl-6-(quinolin-6-ylmethoxy)aniline
SMILESCc1cccc(OCc2ccc3ncccc3c2)c1N
InChIInChI=1S/C17H16N2O/c1-12-4-2-6-16(17(12)18)20-11-13-7-8-15-14(10-13)5-3-9-19-15/h2-10H,11,18H2,1H3
InChIKeyZDZKNNCRYITZMD-UHFFFAOYSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(quinolin-6-ylmethoxy)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

2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 107655742
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
2-(quinolin-6-ylmethoxy)benzenecarbothioamide
CID 28776448
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79163844
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
3-chloro-2-(quinolin-6-ylmethoxy)aniline
CID 107715957
[5-fluoro-2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 107698620
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(quinolin-6-ylmethoxy)aniline?
The IUPAC name of 2-methyl-6-(quinolin-6-ylmethoxy)aniline (CID 43438024) is 2-methyl-6-(quinolin-6-ylmethoxy)aniline.
What is the SMILES notation for 2-methyl-6-(quinolin-6-ylmethoxy)aniline?
The canonical SMILES for 2-methyl-6-(quinolin-6-ylmethoxy)aniline is Cc1cccc(OCc2ccc3ncccc3c2)c1N.
What is the InChIKey of 2-methyl-6-(quinolin-6-ylmethoxy)aniline?
The InChIKey is ZDZKNNCRYITZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-4-2-6-16(17(12)18)20-11-13-7-8-15-14(10-13)5-3-9-19-15/h2-10H,11,18H2,1H3.
What are the key properties of 2-methyl-6-(quinolin-6-ylmethoxy)aniline?
2-methyl-6-(quinolin-6-ylmethoxy)aniline has a molecular weight of 264.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(quinolin-6-ylmethoxy)aniline is sourced from PubChem (CID 43438024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).