1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine

C16H25N3O2 — CID 109400878

IUPAC1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
SMILESCCN/C(=N\CCOCc1ccccc1OC)NC1CC1
InChIInChI=1S/C16H25N3O2/c1-3-17-16(19-14-8-9-14)18-10-11-21-12-13-6-4-5-7-15(13)20-2/h4-7,14H,3,8-12H2,1-2H3,(H2,17,18,19)
InChIKeyYHIQCVYCFCOPPJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.93
Rot. Bonds8

About 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine

1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine (PubChem CID 109400878) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
PubChem CID109400878
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
SMILESCCN/C(=N\CCOCc1ccccc1OC)NC1CC1
InChIInChI=1S/C16H25N3O2/c1-3-17-16(19-14-8-9-14)18-10-11-21-12-13-6-4-5-7-15(13)20-2/h4-7,14H,3,8-12H2,1-2H3,(H2,17,18,19)
InChIKeyYHIQCVYCFCOPPJ-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400891
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109405050
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109405439
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine
CID 109405427
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 109405017
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 109405016
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109402305
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111189862
1-cyclopropyl-3-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110989120
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111978883
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-phenylmethoxyethyl)guanidine
CID 111964913
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine (CID 109400878) is 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine is CCN/C(=N\CCOCc1ccccc1OC)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine?
The InChIKey is YHIQCVYCFCOPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-17-16(19-14-8-9-14)18-10-11-21-12-13-6-4-5-7-15(13)20-2/h4-7,14H,3,8-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine?
1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine has a molecular weight of 291.39 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine is sourced from PubChem (CID 109400878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).