(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine

C15H15BrFNO — CID 82823809

IUPAC(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(18)15-13(17)3-2-4-14(15)19-9-11-5-7-12(16)8-6-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyYFVPXNORUWTXHL-JTQLQIEISA-N
MW324.19 g/mol
LogP4.19
Rot. Bonds4

About (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine

(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine (PubChem CID 82823809) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
PubChem CID82823809
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(18)15-13(17)3-2-4-14(15)19-9-11-5-7-12(16)8-6-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyYFVPXNORUWTXHL-JTQLQIEISA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]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

1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461
(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
CID 78938210
(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
CID 78938385
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
CID 103284039
(1S)-1-[2-fluoro-6-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006428
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine (CID 82823809) is (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine is C[C@H](N)c1c(F)cccc1OCc1ccc(Br)cc1.
What is the InChIKey of (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine?
The InChIKey is YFVPXNORUWTXHL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18)15-13(17)3-2-4-14(15)19-9-11-5-7-12(16)8-6-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine?
(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine is sourced from PubChem (CID 82823809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).