2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline

C14H20FN3O — CID 176657726

IUPAC2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline
SMILES[H]/N=C(\CCN(C)C1CC1)c1c(N)ccc(F)c1OC
InChIInChI=1S/C14H20FN3O/c1-18(9-3-4-9)8-7-12(17)13-11(16)6-5-10(15)14(13)19-2/h5-6,9,17H,3-4,7-8,16H2,1-2H3/b17-12+
InChIKeyZWRGIXBQIKUJGC-SFQUDFHCSA-N
MW265.33 g/mol
LogP2.27
Rot. Bonds6

About 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline

2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline (PubChem CID 176657726) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline.

Molecular Properties

Compound Name2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline
PubChem CID176657726
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline
SMILES[H]/N=C(\CCN(C)C1CC1)c1c(N)ccc(F)c1OC
InChIInChI=1S/C14H20FN3O/c1-18(9-3-4-9)8-7-12(17)13-11(16)6-5-10(15)14(13)19-2/h5-6,9,17H,3-4,7-8,16H2,1-2H3/b17-12+
InChIKeyZWRGIXBQIKUJGC-SFQUDFHCSA-N
XLogP2.27
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline?
The IUPAC name of 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline (CID 176657726) is 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline.
What is the SMILES notation for 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline?
The canonical SMILES for 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline is [H]/N=C(\CCN(C)C1CC1)c1c(N)ccc(F)c1OC.
What is the InChIKey of 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline?
The InChIKey is ZWRGIXBQIKUJGC-SFQUDFHCSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(9-3-4-9)8-7-12(17)13-11(16)6-5-10(15)14(13)19-2/h5-6,9,17H,3-4,7-8,16H2,1-2H3/b17-12+.
What are the key properties of 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline?
2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline has a molecular weight of 265.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(methyl)amino]propanimidoyl]-4-fluoro-3-methoxyaniline is sourced from PubChem (CID 176657726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).