2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline

C18H18N2O — CID 63180873

IUPAC2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
SMILESCc1cc(OCc2ccc3ncccc3c2)c(C)cc1N
InChIInChI=1S/C18H18N2O/c1-12-9-18(13(2)8-16(12)19)21-11-14-5-6-17-15(10-14)4-3-7-20-17/h3-10H,11,19H2,1-2H3
InChIKeyRPSJGMOCYRZDEG-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.01
Rot. Bonds3

About 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline

2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline (PubChem CID 63180873) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
PubChem CID63180873
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
SMILESCc1cc(OCc2ccc3ncccc3c2)c(C)cc1N
InChIInChI=1S/C18H18N2O/c1-12-9-18(13(2)8-16(12)19)21-11-14-5-6-17-15(10-14)4-3-7-20-17/h3-10H,11,19H2,1-2H3
InChIKeyRPSJGMOCYRZDEG-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'}

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Related Compounds

2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 107655742
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655
6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79163844
3-chloro-2-(quinolin-6-ylmethoxy)aniline
CID 107715957
[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
2-(quinolin-6-ylmethoxy)benzenecarbothioamide
CID 28776448
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
6-[(6-chloropyridazin-4-yl)oxymethyl]quinoline
CID 171090319
3-(quinolin-6-ylmethoxymethyl)pentan-3-amine
CID 64571432

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline?
The IUPAC name of 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline (CID 63180873) is 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline.
What is the SMILES notation for 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline?
The canonical SMILES for 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline is Cc1cc(OCc2ccc3ncccc3c2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline?
The InChIKey is RPSJGMOCYRZDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-9-18(13(2)8-16(12)19)21-11-14-5-6-17-15(10-14)4-3-7-20-17/h3-10H,11,19H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline?
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline 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 2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline is sourced from PubChem (CID 63180873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).