1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine

C14H20ClN3O — CID 111770510

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NC1CC1c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-16-14(17-6-7-19-2)18-13-9-12(13)10-4-3-5-11(15)8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H2,16,17,18)
InChIKeyCFIBNNNTOPCTCC-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.01
Rot. Bonds5

About 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine

1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 111770510) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID111770510
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NC1CC1c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-16-14(17-6-7-19-2)18-13-9-12(13)10-4-3-5-11(15)8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H2,16,17,18)
InChIKeyCFIBNNNTOPCTCC-UHFFFAOYSA-N
XLogP2.01
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

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-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942222
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111772220
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111980951
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111771648
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111790435
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039
1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
CID 111456067
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111776637
1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
CID 97211780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine (CID 111770510) is 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine is C/N=C(\NCCOC)NC1CC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is CFIBNNNTOPCTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-16-14(17-6-7-19-2)18-13-9-12(13)10-4-3-5-11(15)8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine?
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 281.79 g/mol, XLogP of 2.01, 5 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]-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 111770510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).