2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine

C16H26N4O2 — CID 111024489

IUPAC2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/CCN2CCOCC2)cc1
InChIInChI=1S/C16H26N4O2/c1-13(2)22-15-5-3-14(4-6-15)19-16(17)18-7-8-20-9-11-21-12-10-20/h3-6,13H,7-12H2,1-2H3,(H3,17,18,19)
InChIKeyKYNUKUGLFBPJFH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.53
Rot. Bonds6

About 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine

2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine (PubChem CID 111024489) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
PubChem CID111024489
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/CCN2CCOCC2)cc1
InChIInChI=1S/C16H26N4O2/c1-13(2)22-15-5-3-14(4-6-15)19-16(17)18-7-8-20-9-11-21-12-10-20/h3-6,13H,7-12H2,1-2H3,(H3,17,18,19)
InChIKeyKYNUKUGLFBPJFH-UHFFFAOYSA-N
XLogP1.53
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.53
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

2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111062051
2-[3-(azepan-1-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111029591
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
2-[4-(4-ethylpiperazin-1-yl)butyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111060405
2-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111056886
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111078837
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111057638
2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111099914
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111042416
2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111057155
2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111813701

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine (CID 111024489) is 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine is CC(C)Oc1ccc(N/C(N)=N/CCN2CCOCC2)cc1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The InChIKey is KYNUKUGLFBPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(2)22-15-5-3-14(4-6-15)19-16(17)18-7-8-20-9-11-21-12-10-20/h3-6,13H,7-12H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine?
2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine has a molecular weight of 306.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine is sourced from PubChem (CID 111024489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).