2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine

C16H15ClF3N — CID 63508626

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-15(7-10-4-3-5-11(17)6-10)16-13(19)8-12(18)9-14(16)20/h3-6,8-9,15,21H,2,7H2,1H3
InChIKeyGQVRHTIWOPBXCO-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.65
Rot. Bonds5

About 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine

2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 63508626) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID63508626
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-15(7-10-4-3-5-11(17)6-10)16-13(19)8-12(18)9-14(16)20/h3-6,8-9,15,21H,2,7H2,1H3
InChIKeyGQVRHTIWOPBXCO-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43490356
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503819
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine (CID 63508626) is 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine is CCNC(Cc1cccc(Cl)c1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is GQVRHTIWOPBXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-21-15(7-10-4-3-5-11(17)6-10)16-13(19)8-12(18)9-14(16)20/h3-6,8-9,15,21H,2,7H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 313.75 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 63508626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).