1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine

C20H26N4O — CID 120580651

IUPAC1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1
InChIInChI=1S/C20H26N4O/c1-14(2)25-18-11-9-16(10-12-18)24-20(21)22-13-17-8-7-15-5-3-4-6-19(15)23-17/h7-12,14H,3-6,13H2,1-2H3,(H3,21,22,24)
InChIKeyNGEZIEUNKSIDTJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine

1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine (PubChem CID 120580651) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
PubChem CID120580651
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1
InChIInChI=1S/C20H26N4O/c1-14(2)25-18-11-9-16(10-12-18)24-20(21)22-13-17-8-7-15-5-3-4-6-19(15)23-17/h7-12,14H,3-6,13H2,1-2H3,(H3,21,22,24)
InChIKeyNGEZIEUNKSIDTJ-UHFFFAOYSA-N
XLogP3.67
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)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-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580650
1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580654
1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606
1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580617
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111038312
2-[(2-methylpyrimidin-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 119119967
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 120580645
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580407
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-[(1-methylpyrazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111081485
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine (CID 120580651) is 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine is CC(C)Oc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine?
The InChIKey is NGEZIEUNKSIDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)25-18-11-9-16(10-12-18)24-20(21)22-13-17-8-7-15-5-3-4-6-19(15)23-17/h7-12,14H,3-6,13H2,1-2H3,(H3,21,22,24).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine?
1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine has a molecular weight of 338.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine is sourced from PubChem (CID 120580651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).