2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine

C18H23FN2 — CID 104738206

IUPAC2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(NC)c1ccncc1F
InChIInChI=1S/C18H23FN2/c1-4-18(5-2,14-9-7-6-8-10-14)17(20-3)15-11-12-21-13-16(15)19/h6-13,17,20H,4-5H2,1-3H3
InChIKeyJJTHSFZHFZNPTA-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.24
Rot. Bonds6

About 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine

2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 104738206) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine
PubChem CID104738206
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(NC)c1ccncc1F
InChIInChI=1S/C18H23FN2/c1-4-18(5-2,14-9-7-6-8-10-14)17(20-3)15-11-12-21-13-16(15)19/h6-13,17,20H,4-5H2,1-3H3
InChIKeyJJTHSFZHFZNPTA-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine (CID 104738206) is 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine is CCC(CC)(c1ccccc1)C(NC)c1ccncc1F.
What is the InChIKey of 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is JJTHSFZHFZNPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-18(5-2,14-9-7-6-8-10-14)17(20-3)15-11-12-21-13-16(15)19/h6-13,17,20H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine?
2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 286.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 104738206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).