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

C12H14Cl2F3N — CID 107309848

IUPAC3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2F3N/c1-8(6-18-7-12(15,16)17)5-9-3-2-4-10(13)11(9)14/h2-4,8,18H,5-7H2,1H3
InChIKeyAJRLPSXCJBETNX-UHFFFAOYSA-N
MW300.15 g/mol
LogP4.32
Rot. Bonds5

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

3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 107309848) has the molecular formula C12H14Cl2F3N and a molecular weight of 300.15 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID107309848
Molecular FormulaC12H14Cl2F3N
Molecular Weight300.15 g/mol
Exact Mass299.05
IUPAC Name3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2F3N/c1-8(6-18-7-12(15,16)17)5-9-3-2-4-10(13)11(9)14/h2-4,8,18H,5-7H2,1H3
InChIKeyAJRLPSXCJBETNX-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899378
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309192
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 107309635
2-[(2,3-dichlorophenyl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 107309806

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 107309848) is 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is AJRLPSXCJBETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F3N/c1-8(6-18-7-12(15,16)17)5-9-3-2-4-10(13)11(9)14/h2-4,8,18H,5-7H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 300.15 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 107309848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).