2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide

C12H16FN3O — CID 63668828

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(CCO)C1CC1
InChIInChI=1S/C12H16FN3O/c13-8-1-4-11(10(7-8)12(14)15)16(5-6-17)9-2-3-9/h1,4,7,9,17H,2-3,5-6H2,(H3,14,15)
InChIKeyABEBQERAKQWATO-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.07
Rot. Bonds5

About 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide

2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide (PubChem CID 63668828) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
PubChem CID63668828
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(CCO)C1CC1
InChIInChI=1S/C12H16FN3O/c13-8-1-4-11(10(7-8)12(14)15)16(5-6-17)9-2-3-9/h1,4,7,9,17H,2-3,5-6H2,(H3,14,15)
InChIKeyABEBQERAKQWATO-UHFFFAOYSA-N
XLogP1.07
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide (CID 63668828) is 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide?
The InChIKey is ABEBQERAKQWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-8-1-4-11(10(7-8)12(14)15)16(5-6-17)9-2-3-9/h1,4,7,9,17H,2-3,5-6H2,(H3,14,15).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide has a molecular weight of 237.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63668828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).