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

C16H18FNO — CID 55088099

IUPAC3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
SMILESCC(OCCNc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-13(14-6-3-2-4-7-14)19-11-10-18-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3
InChIKeyGWHNAHLKVTWZTQ-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.02
Rot. Bonds6

About 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline

3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline (PubChem CID 55088099) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
PubChem CID55088099
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
SMILESCC(OCCNc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-13(14-6-3-2-4-7-14)19-11-10-18-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3
InChIKeyGWHNAHLKVTWZTQ-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-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088052
N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
CID 78816669
2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]aniline
CID 63685534
N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
3,3-dimethyl-N-[2-(1-phenylethoxy)ethyl]butan-1-amine
CID 62567303
2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline
CID 63506410
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
3-fluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]aniline
CID 63515360

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline (CID 55088099) is 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline is CC(OCCNc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline?
The InChIKey is GWHNAHLKVTWZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-13(14-6-3-2-4-7-14)19-11-10-18-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3.
What are the key properties of 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline?
3-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 3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline is sourced from PubChem (CID 55088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).