3-fluoro-N'-propan-2-ylbenzenecarboximidamide

C10H13FN2 — CID 62049000

IUPAC3-fluoro-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1cccc(F)c1
InChIInChI=1S/C10H13FN2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13)
InChIKeyFZEVXSAUGGDLJB-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.94
Rot. Bonds2

About 3-fluoro-N'-propan-2-ylbenzenecarboximidamide

3-fluoro-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 62049000) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-propan-2-ylbenzenecarboximidamide
PubChem CID62049000
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1cccc(F)c1
InChIInChI=1S/C10H13FN2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13)
InChIKeyFZEVXSAUGGDLJB-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.94
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-(Phenylmethyl)guanidine
CID 16644
3-Amino-1H-isoindole hydrochloride
CID 2795203
3,4-Dihydro-isoquinolin-1-ylamine
CID 9793824
N'-Cyanobenzenecarboximidamide
CID 270782
1H-isoindol-3-amine
CID 427859
N-Benzylacetamidine Hydrobromide
CID 25231659
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
4-(Aminomethyl)benzenecarboximidamide
CID 2756474
n-Benzylacetamidine
CID 445678
2-Benzyl-1-(diaminomethylidene)guanidine
CID 15006
(4-Fluoro-3-iodobenzyl)guanidine
CID 133057
8-Fluoro-3-phenyl-3,4-dihydro-isoquinolin-1-ylamine
CID 9873870

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-propan-2-ylbenzenecarboximidamide (CID 62049000) is 3-fluoro-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\N)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is FZEVXSAUGGDLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 3-fluoro-N'-propan-2-ylbenzenecarboximidamide?
3-fluoro-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 180.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 62049000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).