N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine

C18H21F2N — CID 65296774

IUPACN-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H21F2N/c1-4-21-17(11-14-5-7-16(19)8-6-14)15-9-12(2)18(20)13(3)10-15/h5-10,17,21H,4,11H2,1-3H3
InChIKeyGSGCEELXQVKNKQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.47
Rot. Bonds5

About N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine

N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 65296774) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID65296774
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H21F2N/c1-4-21-17(11-14-5-7-16(19)8-6-14)15-9-12(2)18(20)13(3)10-15/h5-10,17,21H,4,11H2,1-3H3
InChIKeyGSGCEELXQVKNKQ-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

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65298904
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (CID 65296774) is N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is CCNC(Cc1ccc(F)cc1)c1cc(C)c(F)c(C)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is GSGCEELXQVKNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-21-17(11-14-5-7-16(19)8-6-14)15-9-12(2)18(20)13(3)10-15/h5-10,17,21H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-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-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 65296774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).