2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine

C11H16FN3 — CID 62363934

IUPAC2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN3/c1-8(2)15-11(13)14-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H3,13,14,15)
InChIKeyBYJPSDDRVHQBRQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.64
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine

2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine (PubChem CID 62363934) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
PubChem CID62363934
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN3/c1-8(2)15-11(13)14-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H3,13,14,15)
InChIKeyBYJPSDDRVHQBRQ-UHFFFAOYSA-N
XLogP1.64
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine 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

2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912022
1-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045350
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111076076
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111089820
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propan-2-ylguanidine
CID 111071222
2-[[4-[[[amino-(butan-2-ylamino)methylidene]amino]methyl]phenyl]methyl]-1-butan-2-ylguanidine;hydroiodide
CID 110062304
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111061302
2-[(4-morpholin-4-ylphenyl)methyl]-1-propan-2-ylguanidine
CID 111063094
2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 62989669
5-[[[amino-(propan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 119151879
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 162108259

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine (CID 62363934) is 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine?
The InChIKey is BYJPSDDRVHQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-8(2)15-11(13)14-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H3,13,14,15).
What are the key properties of 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine?
2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine has a molecular weight of 209.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 62363934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).