1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine

C20H26FN3O — CID 111216031

IUPAC1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1OC)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C20H26FN3O/c1-20(2,16-10-6-7-11-17(16)21)14-24-19(22-3)23-13-15-9-5-8-12-18(15)25-4/h5-12H,13-14H2,1-4H3,(H2,22,23,24)
InChIKeyUMTCGTWCIDNICA-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.48
Rot. Bonds6

About 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine

1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine (PubChem CID 111216031) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
PubChem CID111216031
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1OC)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C20H26FN3O/c1-20(2,16-10-6-7-11-17(16)21)14-24-19(22-3)23-13-15-9-5-8-12-18(15)25-4/h5-12H,13-14H2,1-4H3,(H2,22,23,24)
InChIKeyUMTCGTWCIDNICA-UHFFFAOYSA-N
XLogP3.48
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.48
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

1-tert-butyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 110966121
1-[2-(2-fluorophenyl)-2-methylpropyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111940515
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216372
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778467
1-[2-(2-fluorophenyl)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111126131
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216563
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111216160
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-fluorophenyl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111846164
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111340223
1-[(2-ethoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265189
1-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110981483
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111605598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine (CID 111216031) is 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine is C/N=C(\NCc1ccccc1OC)NCC(C)(C)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The InChIKey is UMTCGTWCIDNICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-20(2,16-10-6-7-11-17(16)21)14-24-19(22-3)23-13-15-9-5-8-12-18(15)25-4/h5-12H,13-14H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine has a molecular weight of 343.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111216031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).