1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine

C21H29N3O3 — CID 111679702

IUPAC1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine
SMILESC/N=C(/NCC(C)Oc1cccc(OC)c1)NCC(OC)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-16(27-19-12-8-11-18(13-19)25-3)14-23-21(22-2)24-15-20(26-4)17-9-6-5-7-10-17/h5-13,16,20H,14-15H2,1-4H3,(H2,22,23,24)
InChIKeyILVIVKTUOFIDLW-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.02
Rot. Bonds9

About 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine

1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine (PubChem CID 111679702) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine
PubChem CID111679702
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine
SMILESC/N=C(/NCC(C)Oc1cccc(OC)c1)NCC(OC)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-16(27-19-12-8-11-18(13-19)25-3)14-23-21(22-2)24-15-20(26-4)17-9-6-5-7-10-17/h5-13,16,20H,14-15H2,1-4H3,(H2,22,23,24)
InChIKeyILVIVKTUOFIDLW-UHFFFAOYSA-N
XLogP3.02
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-2-phenylethyl)-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111249729
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494985
1-(2-methoxy-2-phenylethyl)-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111347015
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342891
1-[2-(3-methoxyphenoxy)propyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111678891
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111680068
1-[2-(2-methoxyethoxy)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679931
1-(4-ethoxybutyl)-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679689
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111679775
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111679162
ethyl 4-[[N-[2-(3-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111679511
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine (CID 111679702) is 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine is C/N=C(/NCC(C)Oc1cccc(OC)c1)NCC(OC)c1ccccc1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine?
The InChIKey is ILVIVKTUOFIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16(27-19-12-8-11-18(13-19)25-3)14-23-21(22-2)24-15-20(26-4)17-9-6-5-7-10-17/h5-13,16,20H,14-15H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine?
1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine has a molecular weight of 371.48 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)propyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine is sourced from PubChem (CID 111679702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).