2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine

C14H21FN2 — CID 82291720

IUPAC2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
SMILESNCCc1c(F)cccc1N1CCCCCC1
InChIInChI=1S/C14H21FN2/c15-13-6-5-7-14(12(13)8-9-16)17-10-3-1-2-4-11-17/h5-7H,1-4,8-11,16H2
InChIKeyGOVNDGWRBGTWLU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.71
Rot. Bonds3

About 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine

2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine (PubChem CID 82291720) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
PubChem CID82291720
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
SMILESNCCc1c(F)cccc1N1CCCCCC1
InChIInChI=1S/C14H21FN2/c15-13-6-5-7-14(12(13)8-9-16)17-10-3-1-2-4-11-17/h5-7H,1-4,8-11,16H2
InChIKeyGOVNDGWRBGTWLU-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-6-piperidin-1-ylphenyl)ethanamine
CID 82286983
2-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 114065996
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 114065973
2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 95506080
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
CID 114065916
1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
CID 168514829
1-[3-fluoro-2-(isocyanatomethyl)phenyl]pyrrolidine
CID 117314049
N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide
CID 122096032
[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine
CID 79516544
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
2-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
CID 114066084

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine (CID 82291720) is 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine is NCCc1c(F)cccc1N1CCCCCC1.
What is the InChIKey of 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine?
The InChIKey is GOVNDGWRBGTWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-6-5-7-14(12(13)8-9-16)17-10-3-1-2-4-11-17/h5-7H,1-4,8-11,16H2.
What are the key properties of 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine?
2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 82291720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).