1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine

C16H22ClN3O — CID 111772220

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
SMILESC/N=C(\NCC1CCCO1)NC1CC1c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-18-16(19-10-13-6-3-7-21-13)20-15-9-14(15)11-4-2-5-12(17)8-11/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H2,18,19,20)
InChIKeyVSOWUJDJPZOIDW-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine

1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine (PubChem CID 111772220) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
PubChem CID111772220
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
SMILESC/N=C(\NCC1CCCO1)NC1CC1c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-18-16(19-10-13-6-3-7-21-13)20-15-9-14(15)11-4-2-5-12(17)8-11/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H2,18,19,20)
InChIKeyVSOWUJDJPZOIDW-UHFFFAOYSA-N
XLogP2.54
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.54
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'}

Analyze 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)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

1-[(3-chlorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137403
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770510
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111775476
1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111775567
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111770779
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111980951
1-[2-(3,5-dichlorophenyl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137233
1-[(3-fluorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136641
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111771648
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039
3-[[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 111358759

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine (CID 111772220) is 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine is C/N=C(\NCC1CCCO1)NC1CC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine?
The InChIKey is VSOWUJDJPZOIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-18-16(19-10-13-6-3-7-21-13)20-15-9-14(15)11-4-2-5-12(17)8-11/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine?
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine has a molecular weight of 307.82 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 111772220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).