[1-(2-fluorophenyl)azepan-3-yl]methanamine

C13H19FN2 — CID 84687805

IUPAC[1-(2-fluorophenyl)azepan-3-yl]methanamine
SMILESNCC1CCCCN(c2ccccc2F)C1
InChIInChI=1S/C13H19FN2/c14-12-6-1-2-7-13(12)16-8-4-3-5-11(9-15)10-16/h1-2,6-7,11H,3-5,8-10,15H2
InChIKeyGTHYPUXOLDSXTR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.39
Rot. Bonds2

About [1-(2-fluorophenyl)azepan-3-yl]methanamine

[1-(2-fluorophenyl)azepan-3-yl]methanamine (PubChem CID 84687805) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is [1-(2-fluorophenyl)azepan-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluorophenyl)azepan-3-yl]methanamine
PubChem CID84687805
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name[1-(2-fluorophenyl)azepan-3-yl]methanamine
SMILESNCC1CCCCN(c2ccccc2F)C1
InChIInChI=1S/C13H19FN2/c14-12-6-1-2-7-13(12)16-8-4-3-5-11(9-15)10-16/h1-2,6-7,11H,3-5,8-10,15H2
InChIKeyGTHYPUXOLDSXTR-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
CID 79516188
(1-benzylazepan-3-yl)methanamine
CID 15718476
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine
CID 97165469

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)azepan-3-yl]methanamine?
The IUPAC name of [1-(2-fluorophenyl)azepan-3-yl]methanamine (CID 84687805) is [1-(2-fluorophenyl)azepan-3-yl]methanamine.
What is the SMILES notation for [1-(2-fluorophenyl)azepan-3-yl]methanamine?
The canonical SMILES for [1-(2-fluorophenyl)azepan-3-yl]methanamine is NCC1CCCCN(c2ccccc2F)C1.
What is the InChIKey of [1-(2-fluorophenyl)azepan-3-yl]methanamine?
The InChIKey is GTHYPUXOLDSXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-12-6-1-2-7-13(12)16-8-4-3-5-11(9-15)10-16/h1-2,6-7,11H,3-5,8-10,15H2.
What are the key properties of [1-(2-fluorophenyl)azepan-3-yl]methanamine?
[1-(2-fluorophenyl)azepan-3-yl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)azepan-3-yl]methanamine is sourced from PubChem (CID 84687805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).