2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine

C18H21F2N — CID 63416924

IUPAC2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ccc(CC)cc1
InChIInChI=1S/C18H21F2N/c1-3-13-5-7-15(8-6-13)18(21-4-2)11-14-9-16(19)12-17(20)10-14/h5-10,12,18,21H,3-4,11H2,1-2H3
InChIKeyLXEAILPKEJBABU-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.42
Rot. Bonds6

About 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine

2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine (PubChem CID 63416924) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
PubChem CID63416924
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ccc(CC)cc1
InChIInChI=1S/C18H21F2N/c1-3-13-5-7-15(8-6-13)18(21-4-2)11-14-9-16(19)12-17(20)10-14/h5-10,12,18,21H,3-4,11H2,1-2H3
InChIKeyLXEAILPKEJBABU-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 79709365
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412461
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine (CID 63416924) is 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine is CCNC(Cc1cc(F)cc(F)c1)c1ccc(CC)cc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine?
The InChIKey is LXEAILPKEJBABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-13-5-7-15(8-6-13)18(21-4-2)11-14-9-16(19)12-17(20)10-14/h5-10,12,18,21H,3-4,11H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine?
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 63416924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).