1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine

C19H26N4O — CID 111964361

IUPAC1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCOCc1ccccc1)NCCc1ccccn1
InChIInChI=1S/C19H26N4O/c1-2-20-19(22-13-11-18-10-6-7-12-21-18)23-14-15-24-16-17-8-4-3-5-9-17/h3-10,12H,2,11,13-16H2,1H3,(H2,20,22,23)
InChIKeyCDWKVVILEQOKRY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.40
Rot. Bonds9

About 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine

1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111964361) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111964361
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCOCc1ccccc1)NCCc1ccccn1
InChIInChI=1S/C19H26N4O/c1-2-20-19(22-13-11-18-10-6-7-12-21-18)23-14-15-24-16-17-8-4-3-5-9-17/h3-10,12H,2,11,13-16H2,1H3,(H2,20,22,23)
InChIKeyCDWKVVILEQOKRY-UHFFFAOYSA-N
XLogP2.40
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.40
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-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192090
1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111512013
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-phenylmethoxyethyl)guanidine
CID 111964913
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-ethyl-2-[3-(3-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193842
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111169429
1,3-diethyl-2-(4-phenylmethoxybutyl)guanidine
CID 110917028
methyl 6-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]hexanoate
CID 111194562
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111835823

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine (CID 111964361) is 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCOCc1ccccc1)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is CDWKVVILEQOKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-20-19(22-13-11-18-10-6-7-12-21-18)23-14-15-24-16-17-8-4-3-5-9-17/h3-10,12H,2,11,13-16H2,1H3,(H2,20,22,23).
What are the key properties of 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 326.44 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111964361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).