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

C17H16N2O — CID 28773260

IUPAC4-methyl-2-(quinolin-2-ylmethoxy)aniline
SMILESCc1ccc(N)c(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H16N2O/c1-12-6-9-15(18)17(10-12)20-11-14-8-7-13-4-2-3-5-16(13)19-14/h2-10H,11,18H2,1H3
InChIKeyPNQWOXOYUKIGJE-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.70
Rot. Bonds3

About 4-methyl-2-(quinolin-2-ylmethoxy)aniline

4-methyl-2-(quinolin-2-ylmethoxy)aniline (PubChem CID 28773260) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-2-(quinolin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-methyl-2-(quinolin-2-ylmethoxy)aniline
PubChem CID28773260
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-methyl-2-(quinolin-2-ylmethoxy)aniline
SMILESCc1ccc(N)c(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H16N2O/c1-12-6-9-15(18)17(10-12)20-11-14-8-7-13-4-2-3-5-16(13)19-14/h2-10H,11,18H2,1H3
InChIKeyPNQWOXOYUKIGJE-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'}

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Related Compounds

3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline
CID 62099179
2-[(6-methoxy-2-pyridinyl)methoxy]-4-methylaniline
CID 63991349
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
CID 43351628
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
CID 70388723
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
3-bromo-5-(quinolin-2-ylmethoxy)aniline
CID 103588166

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(quinolin-2-ylmethoxy)aniline?
The IUPAC name of 4-methyl-2-(quinolin-2-ylmethoxy)aniline (CID 28773260) is 4-methyl-2-(quinolin-2-ylmethoxy)aniline.
What is the SMILES notation for 4-methyl-2-(quinolin-2-ylmethoxy)aniline?
The canonical SMILES for 4-methyl-2-(quinolin-2-ylmethoxy)aniline is Cc1ccc(N)c(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 4-methyl-2-(quinolin-2-ylmethoxy)aniline?
The InChIKey is PNQWOXOYUKIGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-6-9-15(18)17(10-12)20-11-14-8-7-13-4-2-3-5-16(13)19-14/h2-10H,11,18H2,1H3.
What are the key properties of 4-methyl-2-(quinolin-2-ylmethoxy)aniline?
4-methyl-2-(quinolin-2-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 4-methyl-2-(quinolin-2-ylmethoxy)aniline is sourced from PubChem (CID 28773260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).