N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide

C11H15FN2O — CID 145041868

IUPACN'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide
SMILESCOC[C@@H](/N=C(\C)N)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-8(13)14-11(7-15-2)9-3-5-10(12)6-4-9/h3-6,11H,7H2,1-2H3,(H2,13,14)/t11-/m1/s1
InChIKeyKHLHIXLVFYKIHH-LLVKDONJSA-N
MW210.25 g/mol
LogP1.89
Rot. Bonds4

About N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide

N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide (PubChem CID 145041868) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide
PubChem CID145041868
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide
SMILESCOC[C@@H](/N=C(\C)N)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-8(13)14-11(7-15-2)9-3-5-10(12)6-4-9/h3-6,11H,7H2,1-2H3,(H2,13,14)/t11-/m1/s1
InChIKeyKHLHIXLVFYKIHH-LLVKDONJSA-N
XLogP1.89
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
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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Related Compounds

RO-5263397
CID 56835991
(S)-Rexamino
CID 11116360
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
Rexamino
CID 10654553
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(2,4,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966116
(4S)-4-(2,3,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966460
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
(4S)-4-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966464

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide?
The IUPAC name of N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide (CID 145041868) is N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide.
What is the SMILES notation for N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide?
The canonical SMILES for N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide is COC[C@@H](/N=C(\C)N)c1ccc(F)cc1.
What is the InChIKey of N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide?
The InChIKey is KHLHIXLVFYKIHH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(13)14-11(7-15-2)9-3-5-10(12)6-4-9/h3-6,11H,7H2,1-2H3,(H2,13,14)/t11-/m1/s1.
What are the key properties of N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide?
N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide has a molecular weight of 210.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]ethanimidamide is sourced from PubChem (CID 145041868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).