1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine

C14H20ClN3 — CID 111604959

IUPAC1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine
SMILESC/N=C(\NCCC1CC1)NCc1ccccc1Cl
InChIInChI=1S/C14H20ClN3/c1-16-14(17-9-8-11-6-7-11)18-10-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3,(H2,16,17,18)
InChIKeyFRCANAYCVMHTLN-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.81
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine

1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine (PubChem CID 111604959) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine
PubChem CID111604959
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine
SMILESC/N=C(\NCCC1CC1)NCc1ccccc1Cl
InChIInChI=1S/C14H20ClN3/c1-16-14(17-9-8-11-6-7-11)18-10-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3,(H2,16,17,18)
InChIKeyFRCANAYCVMHTLN-UHFFFAOYSA-N
XLogP2.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine;hydroiodide
CID 111604958
1-[(2-chlorophenyl)methyl]-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methylguanidine
CID 111781570
1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111604575
1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111175114
1-(2-cyclopropylethyl)-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111604708
1-[2-(tert-butylamino)ethyl]-3-[(2-chlorophenyl)methyl]-2-methylguanidine
CID 111761765
1-[(2-chlorophenyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778388
1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135298
1-[(2-chlorophenyl)methyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642860
1-benzyl-3-[(2-chlorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110953529
1-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111173878
1-[(2-chlorophenyl)methyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111174713

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine (CID 111604959) is 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine is C/N=C(\NCCC1CC1)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine?
The InChIKey is FRCANAYCVMHTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-16-14(17-9-8-11-6-7-11)18-10-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine?
1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine has a molecular weight of 265.79 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine is sourced from PubChem (CID 111604959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).