2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile

C15H19FN2O — CID 79513023

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile
SMILESCOCCN(c1cccc(F)c1C#N)C(C)C1CC1
InChIInChI=1S/C15H19FN2O/c1-11(12-6-7-12)18(8-9-19-2)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-9H2,1-2H3
InChIKeyAFCUYEUCDHCTOB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.95
Rot. Bonds6

About 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile

2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile (PubChem CID 79513023) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile
PubChem CID79513023
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile
SMILESCOCCN(c1cccc(F)c1C#N)C(C)C1CC1
InChIInChI=1S/C15H19FN2O/c1-11(12-6-7-12)18(8-9-19-2)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-9H2,1-2H3
InChIKeyAFCUYEUCDHCTOB-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 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile (CID 79513023) is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile is COCCN(c1cccc(F)c1C#N)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile?
The InChIKey is AFCUYEUCDHCTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(12-6-7-12)18(8-9-19-2)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-9H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile?
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-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 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 79513023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).