3-fluoro-N-(quinolin-2-ylmethyl)aniline

C16H13FN2 — CID 28774836

IUPAC3-fluoro-N-(quinolin-2-ylmethyl)aniline
SMILESFc1cccc(NCc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H13FN2/c17-13-5-3-6-14(10-13)18-11-15-9-8-12-4-1-2-7-16(12)19-15/h1-10,18H,11H2
InChIKeyXHYHXORBUXFWPF-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.99
Rot. Bonds3

About 3-fluoro-N-(quinolin-2-ylmethyl)aniline

3-fluoro-N-(quinolin-2-ylmethyl)aniline (PubChem CID 28774836) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-N-(quinolin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(quinolin-2-ylmethyl)aniline
PubChem CID28774836
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name3-fluoro-N-(quinolin-2-ylmethyl)aniline
SMILESFc1cccc(NCc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H13FN2/c17-13-5-3-6-14(10-13)18-11-15-9-8-12-4-1-2-7-16(12)19-15/h1-10,18H,11H2
InChIKeyXHYHXORBUXFWPF-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(quinolin-2-ylmethyl)aniline?
The IUPAC name of 3-fluoro-N-(quinolin-2-ylmethyl)aniline (CID 28774836) is 3-fluoro-N-(quinolin-2-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-N-(quinolin-2-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-N-(quinolin-2-ylmethyl)aniline is Fc1cccc(NCc2ccc3ccccc3n2)c1.
What is the InChIKey of 3-fluoro-N-(quinolin-2-ylmethyl)aniline?
The InChIKey is XHYHXORBUXFWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-13-5-3-6-14(10-13)18-11-15-9-8-12-4-1-2-7-16(12)19-15/h1-10,18H,11H2.
What are the key properties of 3-fluoro-N-(quinolin-2-ylmethyl)aniline?
3-fluoro-N-(quinolin-2-ylmethyl)aniline has a molecular weight of 252.29 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(quinolin-2-ylmethyl)aniline is sourced from PubChem (CID 28774836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).