2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C15H22FN3O — CID 77071022

IUPAC2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCC(Cc1ccc(F)cc1)NCC1(CC(N)=NO)CC1
InChIInChI=1S/C15H22FN3O/c1-11(8-12-2-4-13(16)5-3-12)18-10-15(6-7-15)9-14(17)19-20/h2-5,11,18,20H,6-10H2,1H3,(H2,17,19)
InChIKeyPKHYVOUKASRXSV-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.26
Rot. Bonds7

About 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071022) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071022
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCC(Cc1ccc(F)cc1)NCC1(CC(N)=NO)CC1
InChIInChI=1S/C15H22FN3O/c1-11(8-12-2-4-13(16)5-3-12)18-10-15(6-7-15)9-14(17)19-20/h2-5,11,18,20H,6-10H2,1H3,(H2,17,19)
InChIKeyPKHYVOUKASRXSV-UHFFFAOYSA-N
XLogP2.26
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine
CID 113348787
1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 55152835
N'-hydroxy-2-[1-[[[(1S)-1-phenylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 79009132
N'-hydroxy-2-[1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070820
4-[2-[(1-propylcyclopropyl)methylamino]propyl]phenol
CID 114099628
N'-hydroxy-2-[1-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 79250305
2-[1-[(4-ethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070600
2-[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070910
N'-hydroxy-2-[1-[[(3-methylcyclobutyl)amino]methyl]cyclopropyl]ethanimidamide
CID 104861552
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
2-[1-[[(3,5-dimethylcyclohexyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070930
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071022) is 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CC(Cc1ccc(F)cc1)NCC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is PKHYVOUKASRXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11(8-12-2-4-13(16)5-3-12)18-10-15(6-7-15)9-14(17)19-20/h2-5,11,18,20H,6-10H2,1H3,(H2,17,19).
What are the key properties of 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 279.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).