N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide

C17H20FN4OP — CID 178018126

IUPACN'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide
SMILESCNc1ccc(/C(N)=N/C=N/c2ccc(OC(C)F)cc2)cc1P
InChIInChI=1S/C17H20FN4OP/c1-11(18)23-14-6-4-13(5-7-14)21-10-22-17(19)12-3-8-15(20-2)16(24)9-12/h3-11,20H,24H2,1-2H3,(H2,19,21,22)
InChIKeyKSIFQCSGFQYHIF-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.99
Rot. Bonds6

About N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide

N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide (PubChem CID 178018126) has the molecular formula C17H20FN4OP and a molecular weight of 346.35 g/mol. Its IUPAC name is N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide
PubChem CID178018126
Molecular FormulaC17H20FN4OP
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC NameN'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide
SMILESCNc1ccc(/C(N)=N/C=N/c2ccc(OC(C)F)cc2)cc1P
InChIInChI=1S/C17H20FN4OP/c1-11(18)23-14-6-4-13(5-7-14)21-10-22-17(19)12-3-8-15(20-2)16(24)9-12/h3-11,20H,24H2,1-2H3,(H2,19,21,22)
InChIKeyKSIFQCSGFQYHIF-UHFFFAOYSA-N
XLogP2.99
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide?
The IUPAC name of N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide (CID 178018126) is N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide.
What is the SMILES notation for N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide?
The canonical SMILES for N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide is CNc1ccc(/C(N)=N/C=N/c2ccc(OC(C)F)cc2)cc1P.
What is the InChIKey of N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide?
The InChIKey is KSIFQCSGFQYHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN4OP/c1-11(18)23-14-6-4-13(5-7-14)21-10-22-17(19)12-3-8-15(20-2)16(24)9-12/h3-11,20H,24H2,1-2H3,(H2,19,21,22).
What are the key properties of N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide?
N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide has a molecular weight of 346.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(1-fluoroethoxy)phenyl]iminomethyl]-4-(methylamino)-3-phosphanylbenzenecarboximidamide is sourced from PubChem (CID 178018126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).