2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine

C17H20FNO — CID 107699954

IUPAC2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCCCc1ccccc1
InChIInChI=1S/C17H20FNO/c18-16-8-9-17(15(13-16)10-11-19)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12,19H2
InChIKeyBJBJRRKJAZGHFL-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.34
Rot. Bonds7

About 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine

2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine (PubChem CID 107699954) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
PubChem CID107699954
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCCCc1ccccc1
InChIInChI=1S/C17H20FNO/c18-16-8-9-17(15(13-16)10-11-19)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12,19H2
InChIKeyBJBJRRKJAZGHFL-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[5-fluoro-2-(3-phenylpropoxy)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

2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
3-fluoro-4-(3-phenylpropoxy)aniline
CID 26190137
1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine
CID 107695266
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
CID 113233035
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
2-(2-benzyl-5-fluorophenyl)ethanamine
CID 20642641
4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
CID 107700545
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine (CID 107699954) is 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine is NCCc1cc(F)ccc1OCCCc1ccccc1.
What is the InChIKey of 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine?
The InChIKey is BJBJRRKJAZGHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-16-8-9-17(15(13-16)10-11-19)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12,19H2.
What are the key properties of 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine?
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 107699954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).