2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine

C13H21N3O — CID 55064194

IUPAC2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine
SMILESCC/N=C(\N)NC(C)COc1ccc(C)cc1
InChIInChI=1S/C13H21N3O/c1-4-15-13(14)16-11(3)9-17-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H3,14,15,16)
InChIKeyJNVXASMACPFLNL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds5

About 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine

2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine (PubChem CID 55064194) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine.

Molecular Properties

Compound Name2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine
PubChem CID55064194
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine
SMILESCC/N=C(\N)NC(C)COc1ccc(C)cc1
InChIInChI=1S/C13H21N3O/c1-4-15-13(14)16-11(3)9-17-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H3,14,15,16)
InChIKeyJNVXASMACPFLNL-UHFFFAOYSA-N
XLogP1.69
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide
CID 77031375
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
CID 63452663
N'-hydroxy-2,2-dimethyl-4-[1-(4-methylphenoxy)propan-2-ylamino]butanimidamide
CID 77062218
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 64822656
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide
CID 79207589
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine?
The IUPAC name of 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine (CID 55064194) is 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine.
What is the SMILES notation for 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine?
The canonical SMILES for 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine is CC/N=C(\N)NC(C)COc1ccc(C)cc1.
What is the InChIKey of 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine?
The InChIKey is JNVXASMACPFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-15-13(14)16-11(3)9-17-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H3,14,15,16).
What are the key properties of 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine?
2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine has a molecular weight of 235.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine is sourced from PubChem (CID 55064194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).