2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine

C15H14BrClFNO — CID 114321633

IUPAC2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrClFNO/c16-11-5-4-10(14(18)8-11)9-20-15-3-1-2-13(17)12(15)6-7-19/h1-5,8H,6-7,9,19H2
InChIKeyJYZVHCZRYCEPNU-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.32
Rot. Bonds5

About 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine

2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine (PubChem CID 114321633) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
PubChem CID114321633
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrClFNO/c16-11-5-4-10(14(18)8-11)9-20-15-3-1-2-13(17)12(15)6-7-19/h1-5,8H,6-7,9,19H2
InChIKeyJYZVHCZRYCEPNU-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine with MolForge

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321906
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 106269272
5-bromo-2-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 114380891
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine (CID 114321633) is 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine is NCCc1c(Cl)cccc1OCc1ccc(Br)cc1F.
What is the InChIKey of 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The InChIKey is JYZVHCZRYCEPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-11-5-4-10(14(18)8-11)9-20-15-3-1-2-13(17)12(15)6-7-19/h1-5,8H,6-7,9,19H2.
What are the key properties of 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine is sourced from PubChem (CID 114321633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).