1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine

C16H28N4O — CID 62364596

IUPAC1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCOc1cccc(C(CN/C(N)=N/CC(C)C)N(C)C)c1
InChIInChI=1S/C16H28N4O/c1-12(2)10-18-16(17)19-11-15(20(3)4)13-7-6-8-14(9-13)21-5/h6-9,12,15H,10-11H2,1-5H3,(H3,17,18,19)
InChIKeyCXJWBEVSILFGLM-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.86
Rot. Bonds7

About 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine

1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 62364596) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID62364596
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCOc1cccc(C(CN/C(N)=N/CC(C)C)N(C)C)c1
InChIInChI=1S/C16H28N4O/c1-12(2)10-18-16(17)19-11-15(20(3)4)13-7-6-8-14(9-13)21-5/h6-9,12,15H,10-11H2,1-5H3,(H3,17,18,19)
InChIKeyCXJWBEVSILFGLM-UHFFFAOYSA-N
XLogP1.86
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.86
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

1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111037506
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178403
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
CID 62364368
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111029410
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
CID 111037503
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111029436
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822
N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 63173772
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine (CID 62364596) is 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine is COc1cccc(C(CN/C(N)=N/CC(C)C)N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is CXJWBEVSILFGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)10-18-16(17)19-11-15(20(3)4)13-7-6-8-14(9-13)21-5/h6-9,12,15H,10-11H2,1-5H3,(H3,17,18,19).
What are the key properties of 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine?
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 292.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62364596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).