2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine

C19H24N4O — CID 111599414

IUPAC2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine
SMILESCN1CCCC1C/N=C(\N)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H24N4O/c1-23-12-6-8-16(23)14-21-19(20)22-15-7-5-11-18(13-15)24-17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H3,20,21,22)
InChIKeyOZLUGDSLCFPHKY-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.30
Rot. Bonds5

About 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine

2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine (PubChem CID 111599414) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine
PubChem CID111599414
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine
SMILESCN1CCCC1C/N=C(\N)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H24N4O/c1-23-12-6-8-16(23)14-21-19(20)22-15-7-5-11-18(13-15)24-17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H3,20,21,22)
InChIKeyOZLUGDSLCFPHKY-UHFFFAOYSA-N
XLogP3.30
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)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-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
1-(3-phenoxyphenyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111599573
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598697
2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 120606157
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine
CID 111599202
1-amino-2-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylguanidine
CID 106026185
2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1-(3-phenoxyphenyl)guanidine
CID 119147095
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111599072
2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine
CID 111823533
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110912442
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111599290

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine (CID 111599414) is 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine is CN1CCCC1C/N=C(\N)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine?
The InChIKey is OZLUGDSLCFPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-23-12-6-8-16(23)14-21-19(20)22-15-7-5-11-18(13-15)24-17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H3,20,21,22).
What are the key properties of 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine?
2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine has a molecular weight of 324.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 111599414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).