1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine

C16H18FNO2 — CID 107716078

IUPAC1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCCOc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO2/c1-12(18)15-8-7-14(11-16(15)17)20-10-9-19-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3
InChIKeyXDIDVLCGHUHRAC-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine

1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine (PubChem CID 107716078) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
PubChem CID107716078
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCCOc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO2/c1-12(18)15-8-7-14(11-16(15)17)20-10-9-19-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3
InChIKeyXDIDVLCGHUHRAC-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
CID 107718914
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine (CID 107716078) is 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine is CC(N)c1ccc(OCCOc2ccccc2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine?
The InChIKey is XDIDVLCGHUHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12(18)15-8-7-14(11-16(15)17)20-10-9-19-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3.
What are the key properties of 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine?
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 107716078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).