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

C16H16BrClFNO — CID 63499236

IUPAC1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrClFNO/c1-10(20-2)14-7-12(18)4-6-16(14)21-9-11-3-5-13(19)8-15(11)17/h3-8,10,20H,9H2,1-2H3
InChIKeyINOHNSTTYHPPTP-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.10
Rot. Bonds5

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

1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine (PubChem CID 63499236) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
PubChem CID63499236
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrClFNO/c1-10(20-2)14-7-12(18)4-6-16(14)21-9-11-3-5-13(19)8-15(11)17/h3-8,10,20H,9H2,1-2H3
InChIKeyINOHNSTTYHPPTP-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

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Related Compounds

1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716998
2-bromo-1-[(4-bromo-2-propan-2-ylphenoxy)methyl]-4-fluorobenzene
CID 115402119
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033
1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63499357
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 104796252

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine (CID 63499236) is 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCc1ccc(F)cc1Br.
What is the InChIKey of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine?
The InChIKey is INOHNSTTYHPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-10(20-2)14-7-12(18)4-6-16(14)21-9-11-3-5-13(19)8-15(11)17/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine?
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-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-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine is sourced from PubChem (CID 63499236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).