2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine

C17H29FN4O — CID 110975535

IUPAC2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CC(c1cccc(F)c1)N(C)C)NCCCOC
InChIInChI=1S/C17H29FN4O/c1-5-19-17(20-10-7-11-23-4)21-13-16(22(2)3)14-8-6-9-15(18)12-14/h6,8-9,12,16H,5,7,10-11,13H2,1-4H3,(H2,19,20,21)
InChIKeyIVIWOXKWAJAFTM-UHFFFAOYSA-N
MW324.44 g/mol
LogP2.02
Rot. Bonds9

About 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine

2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine (PubChem CID 110975535) has the molecular formula C17H29FN4O and a molecular weight of 324.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine
PubChem CID110975535
Molecular FormulaC17H29FN4O
Molecular Weight324.44 g/mol
Exact Mass324.23
IUPAC Name2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CC(c1cccc(F)c1)N(C)C)NCCCOC
InChIInChI=1S/C17H29FN4O/c1-5-19-17(20-10-7-11-23-4)21-13-16(22(2)3)14-8-6-9-15(18)12-14/h6,8-9,12,16H,5,7,10-11,13H2,1-4H3,(H2,19,20,21)
InChIKeyIVIWOXKWAJAFTM-UHFFFAOYSA-N
XLogP2.02
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine 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-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111406509
2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409344
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651103
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111790051
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180530
1-[3-(cyclopropylmethoxy)propyl]-2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethylguanidine
CID 111392401
1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
CID 110973257
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405307
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 109475755
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methoxypropyl)guanidine
CID 109410343
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111650617
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111877799

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine (CID 110975535) is 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine is CCN/C(=N\CC(c1cccc(F)c1)N(C)C)NCCCOC.
What is the InChIKey of 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine?
The InChIKey is IVIWOXKWAJAFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN4O/c1-5-19-17(20-10-7-11-23-4)21-13-16(22(2)3)14-8-6-9-15(18)12-14/h6,8-9,12,16H,5,7,10-11,13H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine?
2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine has a molecular weight of 324.44 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-(3-methoxypropyl)guanidine is sourced from PubChem (CID 110975535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).