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

C15H15BrFNO — CID 78933004

IUPAC(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(18)11-3-6-14(7-4-11)19-9-12-2-5-13(17)8-15(12)16/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyKILQDIRQPLZBPW-JTQLQIEISA-N
MW324.19 g/mol
LogP4.19
Rot. Bonds4

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

(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 78933004) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID78933004
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(18)11-3-6-14(7-4-11)19-9-12-2-5-13(17)8-15(12)16/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyKILQDIRQPLZBPW-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-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894045
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345722
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 63365654
2-[[4-(1-aminoethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902665
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate
CID 60522492
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947233
2-bromo-4-fluoro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 63458719

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine (CID 78933004) is (1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine is C[C@H](N)c1ccc(OCc2ccc(F)cc2Br)cc1.
What is the InChIKey of (1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is KILQDIRQPLZBPW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18)11-3-6-14(7-4-11)19-9-12-2-5-13(17)8-15(12)16/h2-8,10H,9,18H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine?
(1S)-1-[4-[(2-bromo-4-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-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78933004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).