1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

C14H24N4O — CID 111096559

IUPAC1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CCN(C)C(C)C)cc1
InChIInChI=1S/C14H24N4O/c1-11(2)18(3)10-9-16-14(15)17-12-5-7-13(19-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H3,15,16,17)
InChIKeyPOUIIRPKMAXUMA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.76
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 111096559) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID111096559
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CCN(C)C(C)C)cc1
InChIInChI=1S/C14H24N4O/c1-11(2)18(3)10-9-16-14(15)17-12-5-7-13(19-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H3,15,16,17)
InChIKeyPOUIIRPKMAXUMA-UHFFFAOYSA-N
XLogP1.76
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.76
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-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine
CID 111099144
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111092837
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111078698
2-[3-[benzyl(methyl)amino]butyl]-1-(4-methoxyphenyl)guanidine
CID 111600358
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111089118
2-(2-ethylsulfonylethyl)-1-(4-methoxyphenyl)guanidine
CID 111100364
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096298
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
1-(4-methoxyphenyl)-2-pent-3-enylguanidine
CID 111813726
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111027269

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (CID 111096559) is 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is COc1ccc(N/C(N)=N/CCN(C)C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is POUIIRPKMAXUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)18(3)10-9-16-14(15)17-12-5-7-13(19-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 264.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 111096559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).