2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline

C17H15FN2 — CID 28968475

IUPAC2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2ccc3ncccc3c2)c1
InChIInChI=1S/C17H15FN2/c1-12-4-6-15(18)17(9-12)20-11-13-5-7-16-14(10-13)3-2-8-19-16/h2-10,20H,11H2,1H3
InChIKeyLSUYOHJQQIRTKD-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.29
Rot. Bonds3

About 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline

2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline (PubChem CID 28968475) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
PubChem CID28968475
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2ccc3ncccc3c2)c1
InChIInChI=1S/C17H15FN2/c1-12-4-6-15(18)17(9-12)20-11-13-5-7-16-14(10-13)3-2-8-19-16/h2-10,20H,11H2,1H3
InChIKeyLSUYOHJQQIRTKD-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 28939327
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
6-methylquinoline
CID 7059
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
iodoethane;6-methylquinoline
CID 160581758
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
4-[(2-fluoro-5-methylanilino)methyl]benzene-1,2-diol
CID 28968371
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline (CID 28968475) is 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline is Cc1ccc(F)c(NCc2ccc3ncccc3c2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline?
The InChIKey is LSUYOHJQQIRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-12-4-6-15(18)17(9-12)20-11-13-5-7-16-14(10-13)3-2-8-19-16/h2-10,20H,11H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline?
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline has a molecular weight of 266.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline is sourced from PubChem (CID 28968475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).