2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine

C17H30N4O — CID 110924642

IUPAC2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine
SMILESCCN(CC)C(C/N=C(\N)NCCOC)Cc1ccccc1
InChIInChI=1S/C17H30N4O/c1-4-21(5-2)16(13-15-9-7-6-8-10-15)14-20-17(18)19-11-12-22-3/h6-10,16H,4-5,11-14H2,1-3H3,(H3,18,19,20)
InChIKeyLPDZKQBEQUUATO-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.49
Rot. Bonds10

About 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine

2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine (PubChem CID 110924642) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine
PubChem CID110924642
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine
SMILESCCN(CC)C(C/N=C(\N)NCCOC)Cc1ccccc1
InChIInChI=1S/C17H30N4O/c1-4-21(5-2)16(13-15-9-7-6-8-10-15)14-20-17(18)19-11-12-22-3/h6-10,16H,4-5,11-14H2,1-3H3,(H3,18,19,20)
InChIKeyLPDZKQBEQUUATO-UHFFFAOYSA-N
XLogP1.49
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.49
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

2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111055279
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111055254
2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine
CID 111055283
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914071
2-[2-(dimethylamino)-3-phenylpropyl]-1,3-diethylguanidine
CID 110924766
1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111111871
2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine
CID 111029250
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
CID 55064143
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111099775
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916519
2-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1-propylguanidine
CID 111029196

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine (CID 110924642) is 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine is CCN(CC)C(C/N=C(\N)NCCOC)Cc1ccccc1.
What is the InChIKey of 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine?
The InChIKey is LPDZKQBEQUUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-21(5-2)16(13-15-9-7-6-8-10-15)14-20-17(18)19-11-12-22-3/h6-10,16H,4-5,11-14H2,1-3H3,(H3,18,19,20).
What are the key properties of 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine?
2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine has a molecular weight of 306.45 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110924642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).