1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine

C16H16BrClFNO — CID 102867365

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1cc(OC)ccc1Br
InChIInChI=1S/C16H16BrClFNO/c1-20-15(8-10-4-3-5-14(18)16(10)19)12-9-11(21-2)6-7-13(12)17/h3-7,9,15,20H,8H2,1-2H3
InChIKeyIVPRGFPYKRXJJO-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.75
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine

1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 102867365) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID102867365
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1cc(OC)ccc1Br
InChIInChI=1S/C16H16BrClFNO/c1-20-15(8-10-4-3-5-14(18)16(10)19)12-9-11(21-2)6-7-13(12)17/h3-7,9,15,20H,8H2,1-2H3
InChIKeyIVPRGFPYKRXJJO-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
1-(2-bromo-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 105151508
1-(2-bromo-5-methoxyphenyl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 105132934
[1-(2-bromo-5-methoxyphenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107312937
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
1-(2-bromo-5-methoxyphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105376965
1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine (CID 102867365) is 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1F)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is IVPRGFPYKRXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-20-15(8-10-4-3-5-14(18)16(10)19)12-9-11(21-2)6-7-13(12)17/h3-7,9,15,20H,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine?
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 372.67 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 102867365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).