N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine

C14H15FN2 — CID 54911873

IUPACN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C14H15FN2/c1-2-16-10-13-6-5-11(8-14(13)15)12-4-3-7-17-9-12/h3-9,16H,2,10H2,1H3
InChIKeyXELNGTWQSQHSBY-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine

N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine (PubChem CID 54911873) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
PubChem CID54911873
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C14H15FN2/c1-2-16-10-13-6-5-11(8-14(13)15)12-4-3-7-17-9-12/h3-9,16H,2,10H2,1H3
InChIKeyXELNGTWQSQHSBY-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine (CID 54911873) is N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine is CCNCc1ccc(-c2cccnc2)cc1F.
What is the InChIKey of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine?
The InChIKey is XELNGTWQSQHSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-2-16-10-13-6-5-11(8-14(13)15)12-4-3-7-17-9-12/h3-9,16H,2,10H2,1H3.
What are the key properties of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine?
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine has a molecular weight of 230.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 54911873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).