1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide

C17H21ClIN3O — CID 111775567

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1ccco1)NC1CC1c1cccc(Cl)c1.I
InChIInChI=1S/C17H20ClN3O.HI/c1-19-17(20-8-7-14-6-3-9-22-14)21-16-11-15(16)12-4-2-5-13(18)10-12;/h2-6,9-10,15-16H,7-8,11H2,1H3,(H2,19,20,21);1H
InChIKeyWLCCEWJMQFCCHW-UHFFFAOYSA-N
MW445.73 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide

1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111775567) has the molecular formula C17H21ClIN3O and a molecular weight of 445.73 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
PubChem CID111775567
Molecular FormulaC17H21ClIN3O
Molecular Weight445.73 g/mol
Exact Mass445.04
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1ccco1)NC1CC1c1cccc(Cl)c1.I
InChIInChI=1S/C17H20ClN3O.HI/c1-19-17(20-8-7-14-6-3-9-22-14)21-16-11-15(16)12-4-2-5-13(18)10-12;/h2-6,9-10,15-16H,7-8,11H2,1H3,(H2,19,20,21);1H
InChIKeyWLCCEWJMQFCCHW-UHFFFAOYSA-N
XLogP3.81
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.73
LogP ≤ 53.81
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'}, {'alert_name': 'iodine', '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-methoxyethyl)-2-methylguanidine
CID 111770510
1-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 120671441
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-(furan-2-yl)ethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111558594
1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110938675
1-[(1R,2S)-2-(4-bromo-3-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 120662574
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine
CID 110054544
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110054053
1-(2-chloroprop-2-enyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 119141173
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111771648

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide (CID 111775567) is 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCc1ccco1)NC1CC1c1cccc(Cl)c1.I.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is WLCCEWJMQFCCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O.HI/c1-19-17(20-8-7-14-6-3-9-22-14)21-16-11-15(16)12-4-2-5-13(18)10-12;/h2-6,9-10,15-16H,7-8,11H2,1H3,(H2,19,20,21);1H.
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
1-[2-(3-chlorophenyl)cyclopropyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 445.73 g/mol, XLogP of 3.81, 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-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111775567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).