3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline

C18H18N2O — CID 62099179

IUPAC3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline
SMILESCc1cc(C)c(OCc2ccc3ccccc3n2)c(N)c1
InChIInChI=1S/C18H18N2O/c1-12-9-13(2)18(16(19)10-12)21-11-15-8-7-14-5-3-4-6-17(14)20-15/h3-10H,11,19H2,1-2H3
InChIKeyVSIVXVKUAZFGAQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.01
Rot. Bonds3

About 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline

3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline (PubChem CID 62099179) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline
PubChem CID62099179
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline
SMILESCc1cc(C)c(OCc2ccc3ccccc3n2)c(N)c1
InChIInChI=1S/C18H18N2O/c1-12-9-13(2)18(16(19)10-12)21-11-15-8-7-14-5-3-4-6-17(14)20-15/h3-10H,11,19H2,1-2H3
InChIKeyVSIVXVKUAZFGAQ-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

4-methyl-2-(quinolin-2-ylmethoxy)aniline
CID 28773260
3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
CID 43351628
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
CID 102939310
3-bromo-5-(quinolin-2-ylmethoxy)aniline
CID 103588166
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
CID 70388723
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline
CID 142083930
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
6-fluoro-2-methyl-3-(quinolin-2-ylmethoxy)quinoxaline
CID 110173767

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline?
The IUPAC name of 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline (CID 62099179) is 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline.
What is the SMILES notation for 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline?
The canonical SMILES for 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline is Cc1cc(C)c(OCc2ccc3ccccc3n2)c(N)c1.
What is the InChIKey of 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline?
The InChIKey is VSIVXVKUAZFGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-9-13(2)18(16(19)10-12)21-11-15-8-7-14-5-3-4-6-17(14)20-15/h3-10H,11,19H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline?
3,5-dimethyl-2-(quinolin-2-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 3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline is sourced from PubChem (CID 62099179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).