N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide

C13H17FN2 — CID 63181376

IUPACN'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide
SMILESCC(Cc1ccc(F)cc1)/N=C(\N)C1CC1
InChIInChI=1S/C13H17FN2/c1-9(16-13(15)11-4-5-11)8-10-2-6-12(14)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,15,16)
InChIKeyLYANDFJACDPZKG-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.52
Rot. Bonds4

About N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide

N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide (PubChem CID 63181376) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide
PubChem CID63181376
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide
SMILESCC(Cc1ccc(F)cc1)/N=C(\N)C1CC1
InChIInChI=1S/C13H17FN2/c1-9(16-13(15)11-4-5-11)8-10-2-6-12(14)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,15,16)
InChIKeyLYANDFJACDPZKG-UHFFFAOYSA-N
XLogP2.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
CID 63181794
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
[3-cyclopropyl-1-(4-fluorophenyl)butan-2-yl]hydrazine
CID 105283735
N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide
CID 63008649
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071022
2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
(1S,2R,3S)-3-amino-1-cyclopropyl-4-(4-fluorophenyl)butane-1,2-diol
CID 57030916

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide?
The IUPAC name of N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide (CID 63181376) is N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide is CC(Cc1ccc(F)cc1)/N=C(\N)C1CC1.
What is the InChIKey of N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide?
The InChIKey is LYANDFJACDPZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-9(16-13(15)11-4-5-11)8-10-2-6-12(14)7-3-10/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,15,16).
What are the key properties of N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide?
N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide has a molecular weight of 220.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)propan-2-yl]cyclopropanecarboximidamide is sourced from PubChem (CID 63181376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).