1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C12H14Cl2F3NO — CID 107309192

IUPAC1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2F3NO/c1-18-9(6-19-7-12(15,16)17)5-8-3-2-4-10(13)11(8)14/h2-4,9,18H,5-7H2,1H3
InChIKeyMABWLGZEKJHQAB-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.70
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 107309192) has the molecular formula C12H14Cl2F3NO and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID107309192
Molecular FormulaC12H14Cl2F3NO
Molecular Weight316.15 g/mol
Exact Mass315.04
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2F3NO/c1-18-9(6-19-7-12(15,16)17)5-8-3-2-4-10(13)11(8)14/h2-4,9,18H,5-7H2,1H3
InChIKeyMABWLGZEKJHQAB-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194
1-(2,6-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214865
1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214931
1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216239
1-(2-chlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214639
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148263
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216517
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 112653814
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
1-(2,6-dichlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214862
3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine
CID 103474473

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 107309192) is 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CNC(COCC(F)(F)F)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is MABWLGZEKJHQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F3NO/c1-18-9(6-19-7-12(15,16)17)5-8-3-2-4-10(13)11(8)14/h2-4,9,18H,5-7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 316.15 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 107309192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).