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

C10H10BrClF3NO — CID 43480276

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1OC)C(F)(F)F
InChIInChI=1S/C10H10BrClF3NO/c1-16-9(10(13,14)15)6-3-5(12)4-7(11)8(6)17-2/h3-4,9,16H,1-2H3
InChIKeySPSVECOFCTZYBX-UHFFFAOYSA-N
MW332.55 g/mol
LogP3.93
Rot. Bonds3

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

1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 43480276) has the molecular formula C10H10BrClF3NO and a molecular weight of 332.55 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID43480276
Molecular FormulaC10H10BrClF3NO
Molecular Weight332.55 g/mol
Exact Mass330.96
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1OC)C(F)(F)F
InChIInChI=1S/C10H10BrClF3NO/c1-16-9(10(13,14)15)6-3-5(12)4-7(11)8(6)17-2/h3-4,9,16H,1-2H3
InChIKeySPSVECOFCTZYBX-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-Bromo-7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride
CID 165942560
1-(1-Azidoethyl)-3-bromo-5-chloro-4-fluoro-2-methoxybenzene
CID 86666915
1-(3-Bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanamine
CID 86666916
2-(3-Bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanamine
CID 88540543
1-[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 28339039
1-[3-bromo-5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 28339067
1-[3-bromo-5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 28339428
(1R)-1-[2-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]ethanamine
CID 28417569
(1S)-1-[2-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]ethanamine
CID 28417571
(1R)-1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 28417577
(1S)-1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 28417580
(3-Bromo-5-chloro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanamine
CID 43095325

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine (CID 43480276) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine is CNC(c1cc(Cl)cc(Br)c1OC)C(F)(F)F.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is SPSVECOFCTZYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF3NO/c1-16-9(10(13,14)15)6-3-5(12)4-7(11)8(6)17-2/h3-4,9,16H,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 332.55 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 43480276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).