2-fluoro-6-(oxan-2-ylmethyl)aniline

C12H16FNO — CID 105463137

IUPAC2-fluoro-6-(oxan-2-ylmethyl)aniline
SMILESNc1c(F)cccc1CC1CCCCO1
InChIInChI=1S/C12H16FNO/c13-11-6-3-4-9(12(11)14)8-10-5-1-2-7-15-10/h3-4,6,10H,1-2,5,7-8,14H2
InChIKeyIFINCQXEVXVUEH-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.52
Rot. Bonds2

About 2-fluoro-6-(oxan-2-ylmethyl)aniline

2-fluoro-6-(oxan-2-ylmethyl)aniline (PubChem CID 105463137) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-6-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(oxan-2-ylmethyl)aniline
PubChem CID105463137
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-6-(oxan-2-ylmethyl)aniline
SMILESNc1c(F)cccc1CC1CCCCO1
InChIInChI=1S/C12H16FNO/c13-11-6-3-4-9(12(11)14)8-10-5-1-2-7-15-10/h3-4,6,10H,1-2,5,7-8,14H2
InChIKeyIFINCQXEVXVUEH-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.52
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-[(2-fluorophenyl)methyl]oxane
CID 20724373
2-chloro-6-(oxan-2-ylmethyl)aniline
CID 105483580
2-(cyclobutylmethyl)-6-fluoroaniline
CID 105438233
2-methoxy-6-(oxolan-2-ylmethyl)aniline
CID 105460600
4-fluoro-2-(oxolan-2-ylmethyl)aniline
CID 105449109
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]oxane
CID 112614015
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
N-[(2-bromo-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 114135964
4-fluoro-1-(oxan-2-ylmethyl)benzimidazol-2-amine
CID 55013966
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
CID 105479556
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(oxan-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-6-(oxan-2-ylmethyl)aniline (CID 105463137) is 2-fluoro-6-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-6-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-6-(oxan-2-ylmethyl)aniline is Nc1c(F)cccc1CC1CCCCO1.
What is the InChIKey of 2-fluoro-6-(oxan-2-ylmethyl)aniline?
The InChIKey is IFINCQXEVXVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-6-3-4-9(12(11)14)8-10-5-1-2-7-15-10/h3-4,6,10H,1-2,5,7-8,14H2.
What are the key properties of 2-fluoro-6-(oxan-2-ylmethyl)aniline?
2-fluoro-6-(oxan-2-ylmethyl)aniline has a molecular weight of 209.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 105463137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).