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

C19H27N5O — CID 111029436

IUPAC2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCOc1cccc(C(C/N=C(\N)NCCc2ccccn2)N(C)C)c1
InChIInChI=1S/C19H27N5O/c1-24(2)18(15-7-6-9-17(13-15)25-3)14-23-19(20)22-12-10-16-8-4-5-11-21-16/h4-9,11,13,18H,10,12,14H2,1-3H3,(H3,20,22,23)
InChIKeyLECSHAQCTSMVTQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.84
Rot. Bonds8

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

2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111029436) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111029436
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCOc1cccc(C(C/N=C(\N)NCCc2ccccn2)N(C)C)c1
InChIInChI=1S/C19H27N5O/c1-24(2)18(15-7-6-9-17(13-15)25-3)14-23-19(20)22-12-10-16-8-4-5-11-21-16/h4-9,11,13,18H,10,12,14H2,1-3H3,(H3,20,22,23)
InChIKeyLECSHAQCTSMVTQ-UHFFFAOYSA-N
XLogP1.84
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193365
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
CID 62364368
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 62364596
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
CID 111037503
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111029410
N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 63173772
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]guanidine
CID 111029334
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111058070

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111029436) is 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine is COc1cccc(C(C/N=C(\N)NCCc2ccccn2)N(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is LECSHAQCTSMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-24(2)18(15-7-6-9-17(13-15)25-3)14-23-19(20)22-12-10-16-8-4-5-11-21-16/h4-9,11,13,18H,10,12,14H2,1-3H3,(H3,20,22,23).
What are the key properties of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 341.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111029436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).