2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline

C16H16FNO — CID 60790202

IUPAC2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
SMILESNc1c(F)cccc1OC1CCCc2ccccc21
InChIInChI=1S/C16H16FNO/c17-13-8-4-10-15(16(13)18)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9,18H2
InChIKeyDUXYSEYOHNGITK-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.86
Rot. Bonds2

About 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline

2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline (PubChem CID 60790202) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline.

Molecular Properties

Compound Name2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
PubChem CID60790202
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
SMILESNc1c(F)cccc1OC1CCCc2ccccc21
InChIInChI=1S/C16H16FNO/c17-13-8-4-10-15(16(13)18)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9,18H2
InChIKeyDUXYSEYOHNGITK-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.86
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

4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
1,2,3,4-tetrahydronaphthalen-1-yl 2-amino-3-fluorobenzoate
CID 81498717
5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66081752
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937764
3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde
CID 43826149
N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
CID 43200026
2-bromo-3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 107534235
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926
3,5-difluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 81287430
5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine
CID 66924142
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 43443892

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The IUPAC name of 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline (CID 60790202) is 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline.
What is the SMILES notation for 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The canonical SMILES for 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline is Nc1c(F)cccc1OC1CCCc2ccccc21.
What is the InChIKey of 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
The InChIKey is DUXYSEYOHNGITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-8-4-10-15(16(13)18)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9,18H2.
What are the key properties of 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline?
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline has a molecular weight of 257.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline is sourced from PubChem (CID 60790202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).