3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline

C18H16FNO — CID 63506410

IUPAC3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline
SMILESFc1cccc(NCCOc2cccc3ccccc23)c1
InChIInChI=1S/C18H16FNO/c19-15-7-4-8-16(13-15)20-11-12-21-18-10-3-6-14-5-1-2-9-17(14)18/h1-10,13,20H,11-12H2
InChIKeyHUHNBEWRSRAJLG-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.47
Rot. Bonds5

About 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline

3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline (PubChem CID 63506410) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline
PubChem CID63506410
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline
SMILESFc1cccc(NCCOc2cccc3ccccc23)c1
InChIInChI=1S/C18H16FNO/c19-15-7-4-8-16(13-15)20-11-12-21-18-10-3-6-14-5-1-2-9-17(14)18/h1-10,13,20H,11-12H2
InChIKeyHUHNBEWRSRAJLG-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
3-fluoro-N-[2-(2-prop-2-enylphenoxy)ethyl]aniline
CID 62584533
3-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
CID 63505215
3-fluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]aniline
CID 63515360
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
CID 63516051
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-3-fluoroaniline
CID 107101708
N-[2-(2-bromo-4-methylphenoxy)ethyl]-3-fluoroaniline
CID 63517825
N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
CID 60678805
3-bromo-N-[2-(2-bromo-4-fluorophenoxy)ethyl]aniline
CID 63505886
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline?
The IUPAC name of 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline (CID 63506410) is 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline.
What is the SMILES notation for 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline?
The canonical SMILES for 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline is Fc1cccc(NCCOc2cccc3ccccc23)c1.
What is the InChIKey of 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline?
The InChIKey is HUHNBEWRSRAJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-15-7-4-8-16(13-15)20-11-12-21-18-10-3-6-14-5-1-2-9-17(14)18/h1-10,13,20H,11-12H2.
What are the key properties of 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline?
3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline has a molecular weight of 281.33 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline is sourced from PubChem (CID 63506410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).