4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile

C15H19FN2O — CID 55002927

IUPAC4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
SMILESCOCCN(c1ccc(C#N)cc1F)C(C)C1CC1
InChIInChI=1S/C15H19FN2O/c1-11(13-4-5-13)18(7-8-19-2)15-6-3-12(10-17)9-14(15)16/h3,6,9,11,13H,4-5,7-8H2,1-2H3
InChIKeyNLAXCLMHXPZXRY-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.95
Rot. Bonds6

About 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile

4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile (PubChem CID 55002927) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
PubChem CID55002927
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
SMILESCOCCN(c1ccc(C#N)cc1F)C(C)C1CC1
InChIInChI=1S/C15H19FN2O/c1-11(13-4-5-13)18(7-8-19-2)15-6-3-12(10-17)9-14(15)16/h3,6,9,11,13H,4-5,7-8H2,1-2H3
InChIKeyNLAXCLMHXPZXRY-UHFFFAOYSA-N
XLogP2.95
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile?
The IUPAC name of 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile (CID 55002927) is 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile?
The canonical SMILES for 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile is COCCN(c1ccc(C#N)cc1F)C(C)C1CC1.
What is the InChIKey of 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile?
The InChIKey is NLAXCLMHXPZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(13-4-5-13)18(7-8-19-2)15-6-3-12(10-17)9-14(15)16/h3,6,9,11,13H,4-5,7-8H2,1-2H3.
What are the key properties of 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile?
4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile is sourced from PubChem (CID 55002927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).