1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine

C19H25N3O — CID 111097631

IUPAC1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine
SMILESCOc1ccccc1C(C)C/N=C(\N)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H25N3O/c1-13-9-14(2)11-16(10-13)22-19(20)21-12-15(3)17-7-5-6-8-18(17)23-4/h5-11,15H,12H2,1-4H3,(H3,20,21,22)
InChIKeyGKBBPDYOPDGNME-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.84
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine

1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine (PubChem CID 111097631) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine
PubChem CID111097631
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine
SMILESCOc1ccccc1C(C)C/N=C(\N)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H25N3O/c1-13-9-14(2)11-16(10-13)22-19(20)21-12-15(3)17-7-5-6-8-18(17)23-4/h5-11,15H,12H2,1-4H3,(H3,20,21,22)
InChIKeyGKBBPDYOPDGNME-UHFFFAOYSA-N
XLogP3.84
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.84
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-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111097644
1-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111097654
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097623
1-(3,5-dimethylphenyl)-2-[2-(2-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058117
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine
CID 111028912
1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111820760
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 110913378
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111029410
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095707
1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 110032554
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3,5-dimethylphenyl)guanidine
CID 111067320
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111028906

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine (CID 111097631) is 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine is COc1ccccc1C(C)C/N=C(\N)Nc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine?
The InChIKey is GKBBPDYOPDGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-9-14(2)11-16(10-13)22-19(20)21-12-15(3)17-7-5-6-8-18(17)23-4/h5-11,15H,12H2,1-4H3,(H3,20,21,22).
What are the key properties of 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine?
1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine has a molecular weight of 311.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine is sourced from PubChem (CID 111097631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).