2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine

C20H26N4O — CID 111599290

IUPAC2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine
SMILESCN(C)C(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C20H26N4O/c1-24(2)19(15-11-12-15)14-22-20(21)23-16-7-6-10-18(13-16)25-17-8-4-3-5-9-17/h3-10,13,15,19H,11-12,14H2,1-2H3,(H3,21,22,23)
InChIKeyGCZFECIWMMIFIQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.55
Rot. Bonds7

About 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine (PubChem CID 111599290) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine
PubChem CID111599290
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine
SMILESCN(C)C(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C20H26N4O/c1-24(2)19(15-11-12-15)14-22-20(21)23-16-7-6-10-18(13-16)25-17-8-4-3-5-9-17/h3-10,13,15,19H,11-12,14H2,1-2H3,(H3,21,22,23)
InChIKeyGCZFECIWMMIFIQ-UHFFFAOYSA-N
XLogP3.55
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.55
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-cyclohexyl-2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111056168
ethyl N-[2-[[amino-(3-phenoxyanilino)methylidene]amino]-1-cyclopropylethyl]carbamate
CID 111812413
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111073241
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111073266
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111803114
2-(2-hydroxy-3-phenoxypropyl)-1-(3-phenoxyphenyl)guanidine;hydrobromide
CID 167756826
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 109394682
2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine
CID 111599414
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine
CID 111599202
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597801

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine (CID 111599290) is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine is CN(C)C(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine?
The InChIKey is GCZFECIWMMIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-24(2)19(15-11-12-15)14-22-20(21)23-16-7-6-10-18(13-16)25-17-8-4-3-5-9-17/h3-10,13,15,19H,11-12,14H2,1-2H3,(H3,21,22,23).
What are the key properties of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine?
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine has a molecular weight of 338.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 111599290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).