2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine

C19H25N3O — CID 111820734

IUPAC2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine
SMILESCc1cccc(OC(C)C/N=C(\N)NCCc2ccccc2)c1
InChIInChI=1S/C19H25N3O/c1-15-7-6-10-18(13-15)23-16(2)14-22-19(20)21-12-11-17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3,(H3,20,21,22)
InChIKeyDLADOHTYKHYNSW-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.91
Rot. Bonds7

About 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine

2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine (PubChem CID 111820734) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine
PubChem CID111820734
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine
SMILESCc1cccc(OC(C)C/N=C(\N)NCCc2ccccc2)c1
InChIInChI=1S/C19H25N3O/c1-15-7-6-10-18(13-15)23-16(2)14-22-19(20)21-12-11-17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3,(H3,20,21,22)
InChIKeyDLADOHTYKHYNSW-UHFFFAOYSA-N
XLogP2.91
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111082460
2-[2-(3-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111465350
2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111821493
2-[2-(3-chlorophenoxy)propyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111821605
1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111685305
2-[2-(3-methylphenoxy)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111800214
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenoxy)propyl]guanidine
CID 111820684
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
CID 119547439
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111820683

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine (CID 111820734) is 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine is Cc1cccc(OC(C)C/N=C(\N)NCCc2ccccc2)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine?
The InChIKey is DLADOHTYKHYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-7-6-10-18(13-15)23-16(2)14-22-19(20)21-12-11-17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine?
2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine has a molecular weight of 311.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111820734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).