(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine

C17H20FNO — CID 78938385

IUPAC(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1OCCCc1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(19)17-15(18)10-5-11-16(17)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12,19H2,1H3/t13-/m0/s1
InChIKeyLCOIAYPIHSRVPF-ZDUSSCGKSA-N
MW273.35 g/mol
LogP3.86
Rot. Bonds6

About (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine

(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine (PubChem CID 78938385) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
PubChem CID78938385
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1OCCCc1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(19)17-15(18)10-5-11-16(17)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12,19H2,1H3/t13-/m0/s1
InChIKeyLCOIAYPIHSRVPF-ZDUSSCGKSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.86
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

(1S)-1-[2-fluoro-6-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006428
(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
CID 78938210
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823809
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
CID 103284039
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 43128588

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine (CID 78938385) is (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine is C[C@H](N)c1c(F)cccc1OCCCc1ccccc1.
What is the InChIKey of (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine?
The InChIKey is LCOIAYPIHSRVPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(19)17-15(18)10-5-11-16(17)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12,19H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine?
(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 78938385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).