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

C14H12BrClFNO — CID 79004867

IUPAC(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
SMILESC[C@H](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/t8-/m0/s1
InChIKeyYVTNFLRBTWLFBC-QMMMGPOBSA-N
MW344.61 g/mol
LogP5.05
Rot. Bonds3

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

(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine (PubChem CID 79004867) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
PubChem CID79004867
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
SMILESC[C@H](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/t8-/m0/s1
InChIKeyYVTNFLRBTWLFBC-QMMMGPOBSA-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

Analyze (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 65200927
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
1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
CID 63532726
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
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-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
(1S)-1-[4-(3-tert-butylphenoxy)-3-chlorophenyl]ethanamine
CID 78944267

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine (CID 79004867) is (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine is C[C@H](N)c1ccc(Oc2ccc(Br)c(F)c2)c(Cl)c1.
What is the InChIKey of (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine?
The InChIKey is YVTNFLRBTWLFBC-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine?
(1S)-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 (1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine is sourced from PubChem (CID 79004867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).