1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine

C11H16FN3O — CID 62381483

IUPAC1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine
SMILESCOc1cc(F)ccc1N/C(N)=N/C(C)C
InChIInChI=1S/C11H16FN3O/c1-7(2)14-11(13)15-9-5-4-8(12)6-10(9)16-3/h4-7H,1-3H3,(H3,13,14,15)
InChIKeyRPGDVBNAQYRECU-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.97
Rot. Bonds3

About 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine

1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine (PubChem CID 62381483) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine
PubChem CID62381483
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine
SMILESCOc1cc(F)ccc1N/C(N)=N/C(C)C
InChIInChI=1S/C11H16FN3O/c1-7(2)14-11(13)15-9-5-4-8(12)6-10(9)16-3/h4-7H,1-3H3,(H3,13,14,15)
InChIKeyRPGDVBNAQYRECU-UHFFFAOYSA-N
XLogP1.97
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
CID 62379789
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine (CID 62381483) is 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine is COc1cc(F)ccc1N/C(N)=N/C(C)C.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine?
The InChIKey is RPGDVBNAQYRECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7(2)14-11(13)15-9-5-4-8(12)6-10(9)16-3/h4-7H,1-3H3,(H3,13,14,15).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine?
1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine has a molecular weight of 225.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 62381483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).