1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine

C14H12BrClFNO — CID 65200927

IUPAC1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(Br)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO/c1-8(18)9-2-5-14(12(16)6-9)19-10-3-4-11(15)13(17)7-10/h2-8H,18H2,1H3
InChIKeyYVTNFLRBTWLFBC-UHFFFAOYSA-N
MW344.61 g/mol
LogP5.05
Rot. Bonds3

About 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine

1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine (PubChem CID 65200927) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
PubChem CID65200927
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(Br)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO/c1-8(18)9-2-5-14(12(16)6-9)19-10-3-4-11(15)13(17)7-10/h2-8H,18H2,1H3
InChIKeyYVTNFLRBTWLFBC-UHFFFAOYSA-N
XLogP5.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867
1-[4-(4-bromo-3-methylphenoxy)-3-chlorophenyl]ethanamine
CID 83140379
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
CID 63532726
1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
CID 107088717
1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
CID 63037472
[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]methanol
CID 81151526
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
(1S)-1-[4-(3-tert-butylphenoxy)-3-chlorophenyl]ethanamine
CID 78944267
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine?
The IUPAC name of 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine (CID 65200927) is 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine?
The canonical SMILES for 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine is CC(N)c1ccc(Oc2ccc(Br)c(F)c2)c(Cl)c1.
What is the InChIKey of 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine?
The InChIKey is YVTNFLRBTWLFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-8(18)9-2-5-14(12(16)6-9)19-10-3-4-11(15)13(17)7-10/h2-8H,18H2,1H3.
What are the key properties of 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine?
1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine has a molecular weight of 344.61 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine is sourced from PubChem (CID 65200927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).