1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

C16H16BrClFNO — CID 114847977

IUPAC1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H16BrClFNO/c1-10(20-2)14-7-12(17)4-6-16(14)21-9-11-3-5-13(18)8-15(11)19/h3-8,10,20H,9H2,1-2H3
InChIKeyNZRXBITYNAJSOX-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.10
Rot. Bonds5

About 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 114847977) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID114847977
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H16BrClFNO/c1-10(20-2)14-7-12(17)4-6-16(14)21-9-11-3-5-13(18)8-15(11)19/h3-8,10,20H,9H2,1-2H3
InChIKeyNZRXBITYNAJSOX-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine 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-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 63499236
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305892
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (CID 114847977) is 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is NZRXBITYNAJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-10(20-2)14-7-12(17)4-6-16(14)21-9-11-3-5-13(18)8-15(11)19/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 372.67 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 114847977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).