[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine

C14H12BrClFNO — CID 107879157

IUPAC[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-11-5-9(7-18)2-4-14(11)19-8-10-1-3-12(16)13(17)6-10/h1-6H,7-8,18H2
InChIKeyYWBDQEXVZBUXMS-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.28
Rot. Bonds4

About [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine

[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 107879157) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID107879157
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-11-5-9(7-18)2-4-14(11)19-8-10-1-3-12(16)13(17)6-10/h1-6H,7-8,18H2
InChIKeyYWBDQEXVZBUXMS-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine 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

2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
5-[(2-bromo-4-chlorophenoxy)methyl]-2-chloroaniline
CID 43349955
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine (CID 107879157) is [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine is NCc1ccc(OCc2ccc(Cl)c(F)c2)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is YWBDQEXVZBUXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-11-5-9(7-18)2-4-14(11)19-8-10-1-3-12(16)13(17)6-10/h1-6H,7-8,18H2.
What are the key properties of [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine?
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 344.61 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107879157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).