2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline

C16H18FNO — CID 55088052

IUPAC2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
SMILESCC(OCCNc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-13(14-7-3-2-4-8-14)19-12-11-18-16-10-6-5-9-15(16)17/h2-10,13,18H,11-12H2,1H3
InChIKeyVRZHALYUMCAHHW-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.02
Rot. Bonds6

About 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline

2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline (PubChem CID 55088052) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
PubChem CID55088052
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
SMILESCC(OCCNc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-13(14-7-3-2-4-8-14)19-12-11-18-16-10-6-5-9-15(16)17/h2-10,13,18H,11-12H2,1H3
InChIKeyVRZHALYUMCAHHW-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.02
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

2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100
N-(2-butan-2-yloxyethyl)-2-fluoroaniline
CID 62584548
3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088099
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
3,3-dimethyl-N-[2-(1-phenylethoxy)ethyl]butan-1-amine
CID 62567303
2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
1-(2-bromoethoxy)ethylbenzene
CID 24688557
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 60680287
N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
CID 54798286
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline
CID 114342567
2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975543
methyl 4-(2-fluoroanilino)butanoate
CID 43377911

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline?
The IUPAC name of 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline (CID 55088052) is 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline is CC(OCCNc1ccccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline?
The InChIKey is VRZHALYUMCAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-13(14-7-3-2-4-8-14)19-12-11-18-16-10-6-5-9-15(16)17/h2-10,13,18H,11-12H2,1H3.
What are the key properties of 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline?
2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline is sourced from PubChem (CID 55088052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).