N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine

C18H21F2N — CID 106878390

IUPACN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H21F2N/c1-4-21-17(11-14-6-5-7-15(19)10-14)18-12(2)8-16(20)9-13(18)3/h5-10,17,21H,4,11H2,1-3H3
InChIKeyIHWGQUIBVQSXRT-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.47
Rot. Bonds5

About N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine

N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine (PubChem CID 106878390) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
PubChem CID106878390
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H21F2N/c1-4-21-17(11-14-6-5-7-15(19)10-14)18-12(2)8-16(20)9-13(18)3/h5-10,17,21H,4,11H2,1-3H3
InChIKeyIHWGQUIBVQSXRT-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
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-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 102803029
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095999
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine (CID 106878390) is N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine is CCNC(Cc1cccc(F)c1)c1c(C)cc(F)cc1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is IHWGQUIBVQSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-21-17(11-14-6-5-7-15(19)10-14)18-12(2)8-16(20)9-13(18)3/h5-10,17,21H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine?
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 106878390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).