1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine

C15H14BrClFNO — CID 62370026

IUPAC1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C15H14BrClFNO/c1-9(19)11-7-10(16)5-6-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9H,8,19H2,1H3
InChIKeyWPEOIOXQSRPULL-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.84
Rot. Bonds4

About 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine

1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 62370026) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID62370026
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C15H14BrClFNO/c1-9(19)11-7-10(16)5-6-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9H,8,19H2,1H3
InChIKeyWPEOIOXQSRPULL-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 78936952
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 63368063
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
2-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528187
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321906

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine (CID 62370026) is 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine is CC(N)c1cc(Br)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is WPEOIOXQSRPULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9(19)11-7-10(16)5-6-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9H,8,19H2,1H3.
What are the key properties of 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine?
1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 62370026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).