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

C17H21FN2 — CID 62596666

IUPAC2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)c1cncc(F)c1
InChIInChI=1S/C17H21FN2/c1-4-20-17(15-9-16(18)11-19-10-15)8-14-6-12(2)5-13(3)7-14/h5-7,9-11,17,20H,4,8H2,1-3H3
InChIKeyCIQHSHWZVDKDHC-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.73
Rot. Bonds5

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

2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 62596666) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID62596666
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)c1cncc(F)c1
InChIInChI=1S/C17H21FN2/c1-4-20-17(15-9-16(18)11-19-10-15)8-14-6-12(2)5-13(3)7-14/h5-7,9-11,17,20H,4,8H2,1-3H3
InChIKeyCIQHSHWZVDKDHC-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
N-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
2-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105152391
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105158795
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135758
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181704
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine (CID 62596666) is 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine is CCNC(Cc1cc(C)cc(C)c1)c1cncc(F)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is CIQHSHWZVDKDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-4-20-17(15-9-16(18)11-19-10-15)8-14-6-12(2)5-13(3)7-14/h5-7,9-11,17,20H,4,8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 62596666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).