2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide

C14H20FN3 — CID 65495003

IUPAC2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3/c1-18(9-11-2-4-12(15)5-3-11)10-14(6-7-14)8-13(16)17/h2-5H,6-10H2,1H3,(H3,16,17)
InChIKeyPXFVJUAXRWESFO-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.36
Rot. Bonds6

About 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide

2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65495003) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID65495003
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3/c1-18(9-11-2-4-12(15)5-3-11)10-14(6-7-14)8-13(16)17/h2-5H,6-10H2,1H3,(H3,16,17)
InChIKeyPXFVJUAXRWESFO-UHFFFAOYSA-N
XLogP2.36
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide (CID 65495003) is 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(C)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is PXFVJUAXRWESFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-18(9-11-2-4-12(15)5-3-11)10-14(6-7-14)8-13(16)17/h2-5H,6-10H2,1H3,(H3,16,17).
What are the key properties of 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 249.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65495003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).