4-methyl-2-(quinolin-8-ylmethoxy)aniline

C17H16N2O — CID 28773261

IUPAC4-methyl-2-(quinolin-8-ylmethoxy)aniline
SMILESCc1ccc(N)c(OCc2cccc3cccnc23)c1
InChIInChI=1S/C17H16N2O/c1-12-7-8-15(18)16(10-12)20-11-14-5-2-4-13-6-3-9-19-17(13)14/h2-10H,11,18H2,1H3
InChIKeyNMXUKXHLUIYJNK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.70
Rot. Bonds3

About 4-methyl-2-(quinolin-8-ylmethoxy)aniline

4-methyl-2-(quinolin-8-ylmethoxy)aniline (PubChem CID 28773261) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-2-(quinolin-8-ylmethoxy)aniline.

Molecular Properties

Compound Name4-methyl-2-(quinolin-8-ylmethoxy)aniline
PubChem CID28773261
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-methyl-2-(quinolin-8-ylmethoxy)aniline
SMILESCc1ccc(N)c(OCc2cccc3cccnc23)c1
InChIInChI=1S/C17H16N2O/c1-12-7-8-15(18)16(10-12)20-11-14-5-2-4-13-6-3-9-19-17(13)14/h2-10H,11,18H2,1H3
InChIKeyNMXUKXHLUIYJNK-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

4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
CID 43376447
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807
(4-methyl-2-quinolin-8-yloxyphenyl)methanamine
CID 62308165
8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
CID 11285895
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(quinolin-8-ylmethoxy)aniline?
The IUPAC name of 4-methyl-2-(quinolin-8-ylmethoxy)aniline (CID 28773261) is 4-methyl-2-(quinolin-8-ylmethoxy)aniline.
What is the SMILES notation for 4-methyl-2-(quinolin-8-ylmethoxy)aniline?
The canonical SMILES for 4-methyl-2-(quinolin-8-ylmethoxy)aniline is Cc1ccc(N)c(OCc2cccc3cccnc23)c1.
What is the InChIKey of 4-methyl-2-(quinolin-8-ylmethoxy)aniline?
The InChIKey is NMXUKXHLUIYJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-7-8-15(18)16(10-12)20-11-14-5-2-4-13-6-3-9-19-17(13)14/h2-10H,11,18H2,1H3.
What are the key properties of 4-methyl-2-(quinolin-8-ylmethoxy)aniline?
4-methyl-2-(quinolin-8-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-8-ylmethoxy)aniline is sourced from PubChem (CID 28773261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).