1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine

C19H20FNO2 — CID 7097778

IUPAC1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine
SMILESCC(=NOCCOc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-14(18-13-19(18)15-7-9-16(20)10-8-15)21-23-12-11-22-17-5-3-2-4-6-17/h2-10,18-19H,11-13H2,1H3/t18-,19-/m0/s1
InChIKeyHPJNVMVOTIKLBE-OALUTQOASA-N
MW313.37 g/mol
LogP4.40
Rot. Bonds7

About 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine

1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine (PubChem CID 7097778) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine.

Molecular Properties

Compound Name1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine
PubChem CID7097778
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine
SMILESCC(=NOCCOc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-14(18-13-19(18)15-7-9-16(20)10-8-15)21-23-12-11-22-17-5-3-2-4-6-17/h2-10,18-19H,11-13H2,1H3/t18-,19-/m0/s1
InChIKeyHPJNVMVOTIKLBE-OALUTQOASA-N
XLogP4.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 42018488
[(Z)-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] 4-fluorobenzoate
CID 42549790
[(E)-1-[2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] 4-fluorobenzoate
CID 6161366
ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone
CID 145400535
(Z)-N-methoxy-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6346543
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 3789844
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6558279
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 3783497
1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 50983338
(2Z)-2-methoxyimino-2-[2-[[(E)-1-[2-(4-methoxyphenyl)cyclopropyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 18786682
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
2-phenoxyethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7453476

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine?
The IUPAC name of 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine (CID 7097778) is 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine.
What is the SMILES notation for 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine?
The canonical SMILES for 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine is CC(=NOCCOc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine?
The InChIKey is HPJNVMVOTIKLBE-OALUTQOASA-N. The full InChI is InChI=1S/C19H20FNO2/c1-14(18-13-19(18)15-7-9-16(20)10-8-15)21-23-12-11-22-17-5-3-2-4-6-17/h2-10,18-19H,11-13H2,1H3/t18-,19-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine?
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine has a molecular weight of 313.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine is sourced from PubChem (CID 7097778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).