1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine

C15H24FN3 — CID 111778493

IUPAC1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NCc1ccc(F)cc1
InChIInChI=1S/C15H24FN3/c1-4-12(5-2)10-18-15(17-3)19-11-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19)
InChIKeyYFBCZUKYQZNRCI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.93
Rot. Bonds6

About 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine

1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine (PubChem CID 111778493) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine
PubChem CID111778493
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NCc1ccc(F)cc1
InChIInChI=1S/C15H24FN3/c1-4-12(5-2)10-18-15(17-3)19-11-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19)
InChIKeyYFBCZUKYQZNRCI-UHFFFAOYSA-N
XLogP2.93
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.93
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'}

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Related Compounds

4-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111890351
4-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111891794
1-[(4-fluorophenyl)methyl]-2-methyl-3-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111232457
N,N-diethyl-4-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111890457
1-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111228815
1-(2-ethylbutyl)-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 111890915
1-[2-(dimethylamino)-4-methylpentyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232954
1-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111794174
1-(2-ethylbutyl)-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 111891075
N-ethyl-4-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111230883
1-(2-ethylbutyl)-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111891073
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232093

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine (CID 111778493) is 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine is CCC(CC)CN/C(=N\C)NCc1ccc(F)cc1.
What is the InChIKey of 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine?
The InChIKey is YFBCZUKYQZNRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-4-12(5-2)10-18-15(17-3)19-11-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine?
1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine has a molecular weight of 265.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111778493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).