5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine

C18H18N2O — CID 116524807

IUPAC5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
SMILESCc1ccc(C)c(COc2ccc(N)c3ncccc23)c1
InChIInChI=1S/C18H18N2O/c1-12-5-6-13(2)14(10-12)11-21-17-8-7-16(19)18-15(17)4-3-9-20-18/h3-10H,11,19H2,1-2H3
InChIKeyLJRZORCMALAHEA-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.01
Rot. Bonds3

About 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine

5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine (PubChem CID 116524807) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
PubChem CID116524807
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
SMILESCc1ccc(C)c(COc2ccc(N)c3ncccc23)c1
InChIInChI=1S/C18H18N2O/c1-12-5-6-13(2)14(10-12)11-21-17-8-7-16(19)18-15(17)4-3-9-20-18/h3-10H,11,19H2,1-2H3
InChIKeyLJRZORCMALAHEA-UHFFFAOYSA-N
XLogP4.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine 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

5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
CID 43376447
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
CID 105369730
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine
CID 2735321
5-(thiophen-3-ylmethoxy)quinolin-8-amine
CID 116524803
5-[(2-methyl-4-pyridinyl)oxy]quinolin-8-amine
CID 116525610
5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
CID 43449591

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine?
The IUPAC name of 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine (CID 116524807) is 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine is Cc1ccc(C)c(COc2ccc(N)c3ncccc23)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine?
The InChIKey is LJRZORCMALAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-5-6-13(2)14(10-12)11-21-17-8-7-16(19)18-15(17)4-3-9-20-18/h3-10H,11,19H2,1-2H3.
What are the key properties of 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine?
5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine has a molecular weight of 278.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine is sourced from PubChem (CID 116524807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).