N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine

C15H23FN2 — CID 114065587

IUPACN-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(F)cccc1N1CCCCC1C
InChIInChI=1S/C15H23FN2/c1-3-17-11-13-14(16)8-6-9-15(13)18-10-5-4-7-12(18)2/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3
InChIKeyNJVRQTZKVCZNIU-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.31
Rot. Bonds4

About N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114065587) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID114065587
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(F)cccc1N1CCCCC1C
InChIInChI=1S/C15H23FN2/c1-3-17-11-13-14(16)8-6-9-15(13)18-10-5-4-7-12(18)2/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3
InChIKeyNJVRQTZKVCZNIU-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 114065587) is N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1c(F)cccc1N1CCCCC1C.
What is the InChIKey of N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is NJVRQTZKVCZNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-17-11-13-14(16)8-6-9-15(13)18-10-5-4-7-12(18)2/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3.
What are the key properties of N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114065587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).