1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine

C18H21N3O — CID 111810616

IUPAC1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
SMILESCOc1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1
InChIInChI=1S/C18H21N3O/c1-22-16-9-5-8-15(11-16)21-18(19)20-12-14-10-17(14)13-6-3-2-4-7-13/h2-9,11,14,17H,10,12H2,1H3,(H3,19,20,21)
InChIKeyMKVCBTIZFMVLIE-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.23
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine

1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine (PubChem CID 111810616) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
PubChem CID111810616
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
SMILESCOc1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1
InChIInChI=1S/C18H21N3O/c1-22-16-9-5-8-15(11-16)21-18(19)20-12-14-10-17(14)13-6-3-2-4-7-13/h2-9,11,14,17H,10,12H2,1H3,(H3,19,20,21)
InChIKeyMKVCBTIZFMVLIE-UHFFFAOYSA-N
XLogP3.23
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.23
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'}

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Related Compounds

1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551
2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111810562
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810583
1-(3-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086732
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111026750
1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810564
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-[(2-methylcyclopropyl)methyl]-1-phenylguanidine
CID 115600996
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111803114
1-(3-methoxyphenyl)-2-(6-thiaspiro[2.5]octan-2-ylmethyl)guanidine
CID 122101583
1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086827
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine (CID 111810616) is 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine is COc1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine?
The InChIKey is MKVCBTIZFMVLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-16-9-5-8-15(11-16)21-18(19)20-12-14-10-17(14)13-6-3-2-4-7-13/h2-9,11,14,17H,10,12H2,1H3,(H3,19,20,21).
What are the key properties of 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine?
1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine has a molecular weight of 295.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 111810616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).