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

C18H30N4O — CID 111962505

IUPAC2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1OC)N(C)C)NC1CC1C
InChIInChI=1S/C18H30N4O/c1-6-19-18(21-15-11-13(15)2)20-12-16(22(3)4)14-9-7-8-10-17(14)23-5/h7-10,13,15-16H,6,11-12H2,1-5H3,(H2,19,20,21)
InChIKeyQHNACEXBESSDQG-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.26
Rot. Bonds7

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

2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111962505) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
PubChem CID111962505
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1OC)N(C)C)NC1CC1C
InChIInChI=1S/C18H30N4O/c1-6-19-18(21-15-11-13(15)2)20-12-16(22(3)4)14-9-7-8-10-17(14)23-5/h7-10,13,15-16H,6,11-12H2,1-5H3,(H2,19,20,21)
InChIKeyQHNACEXBESSDQG-UHFFFAOYSA-N
XLogP2.26
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.26
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-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963483
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125746
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962838
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine
CID 110978559
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915665
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111652503
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111864846
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963029
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylphenoxy)ethyl]guanidine
CID 111963329
1-ethyl-3-(2-methylcyclopropyl)-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111690508
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021664
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(2-methylcyclopropyl)guanidine
CID 111182219

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine (CID 111962505) is 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\CC(c1ccccc1OC)N(C)C)NC1CC1C.
What is the InChIKey of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is QHNACEXBESSDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-6-19-18(21-15-11-13(15)2)20-12-16(22(3)4)14-9-7-8-10-17(14)23-5/h7-10,13,15-16H,6,11-12H2,1-5H3,(H2,19,20,21).
What are the key properties of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine?
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 318.46 g/mol, XLogP of 2.26, 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-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111962505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).