5-methyl-2-(quinolin-4-ylmethyl)aniline

C17H16N2 — CID 82766689

IUPAC5-methyl-2-(quinolin-4-ylmethyl)aniline
SMILESCc1ccc(Cc2ccnc3ccccc23)c(N)c1
InChIInChI=1S/C17H16N2/c1-12-6-7-14(16(18)10-12)11-13-8-9-19-17-5-3-2-4-15(13)17/h2-10H,11,18H2,1H3
InChIKeyMQSSODFPXGRWON-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.72
Rot. Bonds2

About 5-methyl-2-(quinolin-4-ylmethyl)aniline

5-methyl-2-(quinolin-4-ylmethyl)aniline (PubChem CID 82766689) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methyl-2-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-methyl-2-(quinolin-4-ylmethyl)aniline
PubChem CID82766689
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name5-methyl-2-(quinolin-4-ylmethyl)aniline
SMILESCc1ccc(Cc2ccnc3ccccc23)c(N)c1
InChIInChI=1S/C17H16N2/c1-12-6-7-14(16(18)10-12)11-13-8-9-19-17-5-3-2-4-15(13)17/h2-10H,11,18H2,1H3
InChIKeyMQSSODFPXGRWON-UHFFFAOYSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79234908
[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66481827
3-methyl-5-(quinolin-4-ylmethyl)aniline
CID 107579575
2,5-difluoro-4-(quinolin-4-ylmethyl)aniline
CID 107615849
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
5-methyl-2-(phenanthren-9-ylmethyl)aniline
CID 154946620
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559
[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66159150
2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
CID 63867018
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
2-methyl-4-(quinolin-4-ylmethoxy)aniline
CID 79234978
4-[(2,4-dimethylphenyl)methyl]pyridin-3-amine
CID 96612968

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 5-methyl-2-(quinolin-4-ylmethyl)aniline (CID 82766689) is 5-methyl-2-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 5-methyl-2-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 5-methyl-2-(quinolin-4-ylmethyl)aniline is Cc1ccc(Cc2ccnc3ccccc23)c(N)c1.
What is the InChIKey of 5-methyl-2-(quinolin-4-ylmethyl)aniline?
The InChIKey is MQSSODFPXGRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-6-7-14(16(18)10-12)11-13-8-9-19-17-5-3-2-4-15(13)17/h2-10H,11,18H2,1H3.
What are the key properties of 5-methyl-2-(quinolin-4-ylmethyl)aniline?
5-methyl-2-(quinolin-4-ylmethyl)aniline has a molecular weight of 248.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 82766689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).