(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine

C15H15BrFNO — CID 78955044

IUPAC(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccccc2F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18)11-6-7-15(13(16)8-11)19-9-12-4-2-3-5-14(12)17/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeySYNGXFZHBADIEO-JTQLQIEISA-N
MW324.19 g/mol
LogP4.19
Rot. Bonds4

About (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine

(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 78955044) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID78955044
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccccc2F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18)11-6-7-15(13(16)8-11)19-9-12-4-2-3-5-14(12)17/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeySYNGXFZHBADIEO-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

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Related Compounds

(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 62911577
(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 104862282
1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60877895
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 62910058
1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326290
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 63937562
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine (CID 78955044) is (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine is C[C@H](N)c1ccc(OCc2ccccc2F)c(Br)c1.
What is the InChIKey of (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is SYNGXFZHBADIEO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18)11-6-7-15(13(16)8-11)19-9-12-4-2-3-5-14(12)17/h2-8,10H,9,18H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]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-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78955044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).