(Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine

C21H24FNO — CID 6987392

IUPAC(Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
SMILESC/C(=N/OCc1ccccc1F)[C@H]1C[C@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C21H24FNO/c1-14(2)16-8-10-17(11-9-16)20-12-19(20)15(3)23-24-13-18-6-4-5-7-21(18)22/h4-11,14,19-20H,12-13H2,1-3H3/b23-15-/t19-,20+/m1/s1
InChIKeyFDRSCKXBTVRVSF-KOEFRDAESA-N
MW325.43 g/mol
LogP5.65
Rot. Bonds6

About (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine

(Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine (PubChem CID 6987392) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
PubChem CID6987392
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name(Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
SMILESC/C(=N/OCc1ccccc1F)[C@H]1C[C@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C21H24FNO/c1-14(2)16-8-10-17(11-9-16)20-12-19(20)15(3)23-24-13-18-6-4-5-7-21(18)22/h4-11,14,19-20H,12-13H2,1-3H3/b23-15-/t19-,20+/m1/s1
InChIKeyFDRSCKXBTVRVSF-KOEFRDAESA-N
XLogP5.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 7094409
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 3783497
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine
CID 7097778
methyl (2E)-2-[2-[[(E)-1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 173271663
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6558279
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 42018488
N-[1-[2-(4-chlorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 2765708
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603943
(Z)-N-methoxy-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6346543
2-[2-fluoro-6-[(2S,3R,5R,6S)-6-methyl-5-(4-propan-2-ylphenyl)-3-prop-1-en-2-yloxan-2-yl]phenoxy]acetic acid
CID 155989015

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The IUPAC name of (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine (CID 6987392) is (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine.
What is the SMILES notation for (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The canonical SMILES for (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine is C/C(=N/OCc1ccccc1F)[C@H]1C[C@H]1c1ccc(C(C)C)cc1.
What is the InChIKey of (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The InChIKey is FDRSCKXBTVRVSF-KOEFRDAESA-N. The full InChI is InChI=1S/C21H24FNO/c1-14(2)16-8-10-17(11-9-16)20-12-19(20)15(3)23-24-13-18-6-4-5-7-21(18)22/h4-11,14,19-20H,12-13H2,1-3H3/b23-15-/t19-,20+/m1/s1.
What are the key properties of (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
(Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine has a molecular weight of 325.43 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine is sourced from PubChem (CID 6987392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).