1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C12H14BrClF3NO — CID 103216239

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClF3NO/c1-18-10(6-19-7-12(15,16)17)4-8-2-3-9(13)5-11(8)14/h2-3,5,10,18H,4,6-7H2,1H3
InChIKeyKYDBZVDETZZUSZ-UHFFFAOYSA-N
MW360.60 g/mol
LogP3.81
Rot. Bonds6

About 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103216239) has the molecular formula C12H14BrClF3NO and a molecular weight of 360.60 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103216239
Molecular FormulaC12H14BrClF3NO
Molecular Weight360.60 g/mol
Exact Mass358.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClF3NO/c1-18-10(6-19-7-12(15,16)17)4-8-2-3-9(13)5-11(8)14/h2-3,5,10,18H,4,6-7H2,1H3
InChIKeyKYDBZVDETZZUSZ-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214931
1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309192
1-(2,6-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214865
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216517
1-(2-chlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214639
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine
CID 103474473
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 113471272
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216145
1-(4-bromo-2-chlorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760754
1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475696
1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105181776

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103216239) is 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CNC(COCC(F)(F)F)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is KYDBZVDETZZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClF3NO/c1-18-10(6-19-7-12(15,16)17)4-8-2-3-9(13)5-11(8)14/h2-3,5,10,18H,4,6-7H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 360.60 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103216239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).