2-(azocan-1-yl)-5-fluoroaniline

C13H19FN2 — CID 28799703

IUPAC2-(azocan-1-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1N1CCCCCCC1
InChIInChI=1S/C13H19FN2/c14-11-6-7-13(12(15)10-11)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9,15H2
InChIKeyNYEZTDGRXYSQMB-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.18
Rot. Bonds1

About 2-(azocan-1-yl)-5-fluoroaniline

2-(azocan-1-yl)-5-fluoroaniline (PubChem CID 28799703) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(azocan-1-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(azocan-1-yl)-5-fluoroaniline
PubChem CID28799703
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(azocan-1-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1N1CCCCCCC1
InChIInChI=1S/C13H19FN2/c14-11-6-7-13(12(15)10-11)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9,15H2
InChIKeyNYEZTDGRXYSQMB-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
2-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667409
4,5-difluoro-2-pyrrolidin-1-ylaniline
CID 130536593
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
CID 43590227
5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-5-fluoroaniline?
The IUPAC name of 2-(azocan-1-yl)-5-fluoroaniline (CID 28799703) is 2-(azocan-1-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(azocan-1-yl)-5-fluoroaniline?
The canonical SMILES for 2-(azocan-1-yl)-5-fluoroaniline is Nc1cc(F)ccc1N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-5-fluoroaniline?
The InChIKey is NYEZTDGRXYSQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-11-6-7-13(12(15)10-11)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9,15H2.
What are the key properties of 2-(azocan-1-yl)-5-fluoroaniline?
2-(azocan-1-yl)-5-fluoroaniline has a molecular weight of 222.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-5-fluoroaniline is sourced from PubChem (CID 28799703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).