1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine

C21H34N4O2 — CID 111604771

IUPAC1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCC1CC1
InChIInChI=1S/C21H34N4O2/c1-3-22-21(23-11-10-17-4-5-17)24-16-20(25-12-14-27-15-13-25)18-6-8-19(26-2)9-7-18/h6-9,17,20H,3-5,10-16H2,1-2H3,(H2,22,23,24)
InChIKeyBUFHSMSUDRDZQR-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.42
Rot. Bonds9

About 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine

1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111604771) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111604771
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCC1CC1
InChIInChI=1S/C21H34N4O2/c1-3-22-21(23-11-10-17-4-5-17)24-16-20(25-12-14-27-15-13-25)18-6-8-19(26-2)9-7-18/h6-9,17,20H,3-5,10-16H2,1-2H3,(H2,22,23,24)
InChIKeyBUFHSMSUDRDZQR-UHFFFAOYSA-N
XLogP2.42
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.42
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'}

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Related Compounds

1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111604770
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778609
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111309851
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111309975
1-(3-cyclopropylpropyl)-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethylguanidine
CID 111795530
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111309472
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111309788
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642612
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111309974
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111964782
1-(cyclopropylmethyl)-3-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111867477

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine (CID 111604771) is 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine is CCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is BUFHSMSUDRDZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-3-22-21(23-11-10-17-4-5-17)24-16-20(25-12-14-27-15-13-25)18-6-8-19(26-2)9-7-18/h6-9,17,20H,3-5,10-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine?
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 374.53 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111604771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).