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

C12H14Cl2F3NO — CID 103214931

IUPAC1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2F3NO/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
InChIKeyDOYNRMIYIRGWQO-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.70
Rot. Bonds6

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

1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103214931) has the molecular formula C12H14Cl2F3NO and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103214931
Molecular FormulaC12H14Cl2F3NO
Molecular Weight316.15 g/mol
Exact Mass315.04
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2F3NO/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
InChIKeyDOYNRMIYIRGWQO-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-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216239
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-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(5-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148276
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216517
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216145
1-(2-chlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214639
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103214931) is 1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CNC(COCC(F)(F)F)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is DOYNRMIYIRGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F3NO/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-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(2,4-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-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103214931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).