2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine

C16H26N4O2 — CID 111099208

IUPAC2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
SMILESCOCCN(CC/N=C(\N)Nc1ccccc1OC)C1CC1
InChIInChI=1S/C16H26N4O2/c1-21-12-11-20(13-7-8-13)10-9-18-16(17)19-14-5-3-4-6-15(14)22-2/h3-6,13H,7-12H2,1-2H3,(H3,17,18,19)
InChIKeyQJBCWGBSTUWRSD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.53
Rot. Bonds9

About 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111099208) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111099208
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
SMILESCOCCN(CC/N=C(\N)Nc1ccccc1OC)C1CC1
InChIInChI=1S/C16H26N4O2/c1-21-12-11-20(13-7-8-13)10-9-18-16(17)19-14-5-3-4-6-15(14)22-2/h3-6,13H,7-12H2,1-2H3,(H3,17,18,19)
InChIKeyQJBCWGBSTUWRSD-UHFFFAOYSA-N
XLogP1.53
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.53
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

2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111099140
2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111066538
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine
CID 111099248
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111099258
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(4-butan-2-ylphenyl)-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]guanidine
CID 111099212
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
2-[3-[di(propan-2-yl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821758
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133965
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096457

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine (CID 111099208) is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine is COCCN(CC/N=C(\N)Nc1ccccc1OC)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is QJBCWGBSTUWRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-21-12-11-20(13-7-8-13)10-9-18-16(17)19-14-5-3-4-6-15(14)22-2/h3-6,13H,7-12H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine?
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 306.41 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111099208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).