2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine

C22H32N4O — CID 111052997

IUPAC2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine
SMILESCCN(CC)CCOc1ccc(C/N=C(\N)NCCc2ccccc2)cc1
InChIInChI=1S/C22H32N4O/c1-3-26(4-2)16-17-27-21-12-10-20(11-13-21)18-25-22(23)24-15-14-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3,(H3,23,24,25)
InChIKeyTWFRFKCLHXDCMM-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.05
Rot. Bonds11

About 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine

2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine (PubChem CID 111052997) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine
PubChem CID111052997
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine
SMILESCCN(CC)CCOc1ccc(C/N=C(\N)NCCc2ccccc2)cc1
InChIInChI=1S/C22H32N4O/c1-3-26(4-2)16-17-27-21-12-10-20(11-13-21)18-25-22(23)24-15-14-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3,(H3,23,24,25)
InChIKeyTWFRFKCLHXDCMM-UHFFFAOYSA-N
XLogP3.05
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111053130
1-(2-phenylethyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111040842
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111052985
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033131
2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111061038
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111089808
2-[[4-(phenoxymethyl)phenyl]methyl]-1-propylguanidine
CID 111054261
1-[2-(4-methoxyphenyl)ethyl]-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110925910
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111061286
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111123871
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111053084

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine (CID 111052997) is 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine is CCN(CC)CCOc1ccc(C/N=C(\N)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine?
The InChIKey is TWFRFKCLHXDCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-3-26(4-2)16-17-27-21-12-10-20(11-13-21)18-25-22(23)24-15-14-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3,(H3,23,24,25).
What are the key properties of 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine?
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine has a molecular weight of 368.53 g/mol, XLogP of 3.05, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111052997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).