2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine

C18H23N3O — CID 75532598

IUPAC2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
SMILESC/N=C(\NCCOc1ccccc1)NC(C)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-15(16-9-5-3-6-10-16)21-18(19-2)20-13-14-22-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyTXEFGSFUDDTHBM-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.99
Rot. Bonds6

About 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine

2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine (PubChem CID 75532598) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
PubChem CID75532598
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
SMILESC/N=C(\NCCOc1ccccc1)NC(C)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-15(16-9-5-3-6-10-16)21-18(19-2)20-13-14-22-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyTXEFGSFUDDTHBM-UHFFFAOYSA-N
XLogP2.99
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
2-methyl-1-(2-methylpropyl)-3-(2-phenoxyethyl)guanidine
CID 111005613
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950157
2-methyl-1-(3-methylbutyl)-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 110978538
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545832
1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
CID 110948758
1-hexyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948974
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(3-phenoxypropyl)guanidine
CID 110999013
1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949845
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
1-butan-2-yl-2-methyl-3-(4-phenoxybutyl)guanidine;hydroiodide
CID 110945821

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine (CID 75532598) is 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine is C/N=C(\NCCOc1ccccc1)NC(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine?
The InChIKey is TXEFGSFUDDTHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15(16-9-5-3-6-10-16)21-18(19-2)20-13-14-22-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine?
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine has a molecular weight of 297.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 75532598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).