2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine

C15H26N4O — CID 62364368

IUPAC2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C15H26N4O/c1-5-9-17-15(16)18-11-14(19(2)3)12-7-6-8-13(10-12)20-4/h6-8,10,14H,5,9,11H2,1-4H3,(H3,16,17,18)
InChIKeyUOLVDVJRHBGVAG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.61
Rot. Bonds7

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

2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine (PubChem CID 62364368) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
PubChem CID62364368
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C15H26N4O/c1-5-9-17-15(16)18-11-14(19(2)3)12-7-6-8-13(10-12)20-4/h6-8,10,14H,5,9,11H2,1-4H3,(H3,16,17,18)
InChIKeyUOLVDVJRHBGVAG-UHFFFAOYSA-N
XLogP1.61
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.61
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-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
CID 111037503
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111029436
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 62364596
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111029410
1-butyl-2-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]guanidine
CID 95329279
N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 63173772
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111037506
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]guanidine
CID 111029334
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111037548
1-cyclopentyl-2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethylguanidine
CID 110991683
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350626

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine (CID 62364368) is 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine is CCCN/C(N)=N/CC(c1cccc(OC)c1)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine?
The InChIKey is UOLVDVJRHBGVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-9-17-15(16)18-11-14(19(2)3)12-7-6-8-13(10-12)20-4/h6-8,10,14H,5,9,11H2,1-4H3,(H3,16,17,18).
What are the key properties of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine?
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine has a molecular weight of 278.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine is sourced from PubChem (CID 62364368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).