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

C17H16N2O — CID 79234978

IUPAC2-methyl-4-(quinolin-4-ylmethoxy)aniline
SMILESCc1cc(OCc2ccnc3ccccc23)ccc1N
InChIInChI=1S/C17H16N2O/c1-12-10-14(6-7-16(12)18)20-11-13-8-9-19-17-5-3-2-4-15(13)17/h2-10H,11,18H2,1H3
InChIKeyRZVHJIXKNADAPM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.70
Rot. Bonds3

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

2-methyl-4-(quinolin-4-ylmethoxy)aniline (PubChem CID 79234978) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-4-(quinolin-4-ylmethoxy)aniline.

Molecular Properties

Compound Name2-methyl-4-(quinolin-4-ylmethoxy)aniline
PubChem CID79234978
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-methyl-4-(quinolin-4-ylmethoxy)aniline
SMILESCc1cc(OCc2ccnc3ccccc23)ccc1N
InChIInChI=1S/C17H16N2O/c1-12-10-14(6-7-16(12)18)20-11-13-8-9-19-17-5-3-2-4-15(13)17/h2-10H,11,18H2,1H3
InChIKeyRZVHJIXKNADAPM-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-[(3-fluorophenoxy)methyl]quinoline
CID 79240471
2-methyl-4-quinazolin-4-yloxyaniline
CID 60895454
4-(1H-indol-5-yloxymethyl)quinoline
CID 80648654
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359
[3-(quinolin-4-ylmethoxy)phenyl]boronic acid
CID 79231473
3-chloro-2-(quinolin-4-ylmethoxy)aniline
CID 107716069
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
5-methyl-2-(quinolin-4-ylmethyl)aniline
CID 82766689
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(quinolin-4-ylmethoxy)aniline?
The IUPAC name of 2-methyl-4-(quinolin-4-ylmethoxy)aniline (CID 79234978) is 2-methyl-4-(quinolin-4-ylmethoxy)aniline.
What is the SMILES notation for 2-methyl-4-(quinolin-4-ylmethoxy)aniline?
The canonical SMILES for 2-methyl-4-(quinolin-4-ylmethoxy)aniline is Cc1cc(OCc2ccnc3ccccc23)ccc1N.
What is the InChIKey of 2-methyl-4-(quinolin-4-ylmethoxy)aniline?
The InChIKey is RZVHJIXKNADAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-10-14(6-7-16(12)18)20-11-13-8-9-19-17-5-3-2-4-15(13)17/h2-10H,11,18H2,1H3.
What are the key properties of 2-methyl-4-(quinolin-4-ylmethoxy)aniline?
2-methyl-4-(quinolin-4-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 2-methyl-4-(quinolin-4-ylmethoxy)aniline is sourced from PubChem (CID 79234978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).