1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine

C21H34N4O2 — CID 111021603

IUPAC1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC1(c2ccccc2OC)CC1)NCC(C)N1CCOCC1
InChIInChI=1S/C21H34N4O2/c1-4-22-20(23-15-17(2)25-11-13-27-14-12-25)24-16-21(9-10-21)18-7-5-6-8-19(18)26-3/h5-8,17H,4,9-16H2,1-3H3,(H2,22,23,24)
InChIKeyDZUDYKXOUKDTGJ-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.00
Rot. Bonds8

About 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine

1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111021603) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111021603
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC1(c2ccccc2OC)CC1)NCC(C)N1CCOCC1
InChIInChI=1S/C21H34N4O2/c1-4-22-20(23-15-17(2)25-11-13-27-14-12-25)24-16-21(9-10-21)18-7-5-6-8-19(18)26-3/h5-8,17H,4,9-16H2,1-3H3,(H2,22,23,24)
InChIKeyDZUDYKXOUKDTGJ-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.00
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'}

Analyze 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111020871
1-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021902
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111760391
1-(cyclopropylmethyl)-3-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111868399
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022150
1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110975350
1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)-2-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111931478
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021664
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]guanidine
CID 110939240
1-ethyl-2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-prop-2-ynylguanidine
CID 111849179
1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111020913
1-ethyl-2-[(4-ethylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111827267

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine (CID 111021603) is 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC1(c2ccccc2OC)CC1)NCC(C)N1CCOCC1.
What is the InChIKey of 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is DZUDYKXOUKDTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-4-22-20(23-15-17(2)25-11-13-27-14-12-25)24-16-21(9-10-21)18-7-5-6-8-19(18)26-3/h5-8,17H,4,9-16H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 374.53 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111021603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).