1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine

C19H24N4O2 — CID 120580617

IUPAC1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1OC
InChIInChI=1S/C19H24N4O2/c1-24-17-10-9-14(11-18(17)25-2)23-19(20)21-12-15-8-7-13-5-3-4-6-16(13)22-15/h7-11H,3-6,12H2,1-2H3,(H3,20,21,23)
InChIKeyHPPJYTMGCPPEKT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.90
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine

1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine (PubChem CID 120580617) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
PubChem CID120580617
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1OC
InChIInChI=1S/C19H24N4O2/c1-24-17-10-9-14(11-18(17)25-2)23-19(20)21-12-15-8-7-13-5-3-4-6-16(13)22-15/h7-11H,3-6,12H2,1-2H3,(H3,20,21,23)
InChIKeyHPPJYTMGCPPEKT-UHFFFAOYSA-N
XLogP2.90
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.90
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-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580654
1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580651
1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606
1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580650
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 120580645
1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038290
2-[(3-bromo-4-methoxyphenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111095666
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111052071
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580407
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine;hydroiodide
CID 111066664
2-[(4-tert-butylphenyl)methyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111045467
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]guanidine
CID 111044222

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine (CID 120580617) is 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine is COc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine?
The InChIKey is HPPJYTMGCPPEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-24-17-10-9-14(11-18(17)25-2)23-19(20)21-12-15-8-7-13-5-3-4-6-16(13)22-15/h7-11H,3-6,12H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine?
1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine has a molecular weight of 340.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine is sourced from PubChem (CID 120580617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).