1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine

C16H25N3O — CID 111961455

IUPAC1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(COC)cc1)NC1CC1C
InChIInChI=1S/C16H25N3O/c1-4-17-16(19-15-9-12(15)2)18-10-13-5-7-14(8-6-13)11-20-3/h5-8,12,15H,4,9-11H2,1-3H3,(H2,17,18,19)
InChIKeyOSRAKNGOYYMJFU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.30
Rot. Bonds6

About 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine

1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine (PubChem CID 111961455) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine
PubChem CID111961455
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(COC)cc1)NC1CC1C
InChIInChI=1S/C16H25N3O/c1-4-17-16(19-15-9-12(15)2)18-10-13-5-7-14(8-6-13)11-20-3/h5-8,12,15H,4,9-11H2,1-3H3,(H2,17,18,19)
InChIKeyOSRAKNGOYYMJFU-UHFFFAOYSA-N
XLogP2.30
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.30
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

1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(2-methylcyclopropyl)guanidine
CID 111182219
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111233190
1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111962290
N-ethyl-4-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111961032
1-ethyl-3-(2-methylcyclopropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111870928
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111960974
1-ethyl-3-(2-methylcyclopropyl)-2-(naphthalen-2-ylmethyl)guanidine
CID 111961429
methyl 5-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]-2-methoxybenzoate
CID 111961773
1-ethyl-3-(2-methylcyclopropyl)-2-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111961558
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111529668
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963271
2-[(3-chloro-4-fluorophenyl)methyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962180

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine (CID 111961455) is 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\Cc1ccc(COC)cc1)NC1CC1C.
What is the InChIKey of 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine?
The InChIKey is OSRAKNGOYYMJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-17-16(19-15-9-12(15)2)18-10-13-5-7-14(8-6-13)11-20-3/h5-8,12,15H,4,9-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine?
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine has a molecular weight of 275.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111961455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).