1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine

C18H23FN2 — CID 130374234

IUPAC1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine
SMILESC/C=C1\C(c2cccc(F)c2)=CC(CC)=CN1CN(C)C
InChIInChI=1S/C18H23FN2/c1-5-14-10-17(15-8-7-9-16(19)11-15)18(6-2)21(12-14)13-20(3)4/h6-12H,5,13H2,1-4H3/b18-6+
InChIKeyYHEYOTWKINWZBY-NGYBGAFCSA-N
MW286.39 g/mol
LogP4.24
Rot. Bonds4

About 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine

1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 130374234) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine
PubChem CID130374234
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine
SMILESC/C=C1\C(c2cccc(F)c2)=CC(CC)=CN1CN(C)C
InChIInChI=1S/C18H23FN2/c1-5-14-10-17(15-8-7-9-16(19)11-15)18(6-2)21(12-14)13-20(3)4/h6-12H,5,13H2,1-4H3/b18-6+
InChIKeyYHEYOTWKINWZBY-NGYBGAFCSA-N
XLogP4.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine (CID 130374234) is 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine is C/C=C1\C(c2cccc(F)c2)=CC(CC)=CN1CN(C)C.
What is the InChIKey of 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is YHEYOTWKINWZBY-NGYBGAFCSA-N. The full InChI is InChI=1S/C18H23FN2/c1-5-14-10-17(15-8-7-9-16(19)11-15)18(6-2)21(12-14)13-20(3)4/h6-12H,5,13H2,1-4H3/b18-6+.
What are the key properties of 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine?
1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 286.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 130374234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).