1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine

C14H24N4O2 — CID 116515230

IUPAC1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
SMILESCOc1ccc(C/N=C(/NN)NCC(C)C)c(OC)c1
InChIInChI=1S/C14H24N4O2/c1-10(2)8-16-14(18-15)17-9-11-5-6-12(19-3)7-13(11)20-4/h5-7,10H,8-9,15H2,1-4H3,(H2,16,17,18)
InChIKeyRIQBLQFQHRHWKA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.27
Rot. Bonds6

About 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine

1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine (PubChem CID 116515230) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
PubChem CID116515230
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
SMILESCOc1ccc(C/N=C(/NN)NCC(C)C)c(OC)c1
InChIInChI=1S/C14H24N4O2/c1-10(2)8-16-14(18-15)17-9-11-5-6-12(19-3)7-13(11)20-4/h5-7,10H,8-9,15H2,1-4H3,(H2,16,17,18)
InChIKeyRIQBLQFQHRHWKA-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 111777324
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022150
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111878877
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111879123
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111879117
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine
CID 111713277
2-[(2,4-dimethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044248
2-[(2,4-dimethoxyphenyl)methyl]-1-[2-(dimethylamino)-2-phenylethyl]-3-ethylguanidine;hydroiodide
CID 111879692
2-[(2,4-dimethoxyphenyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111044199
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111246633
2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111022345

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine (CID 116515230) is 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine is COc1ccc(C/N=C(/NN)NCC(C)C)c(OC)c1.
What is the InChIKey of 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine?
The InChIKey is RIQBLQFQHRHWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)8-16-14(18-15)17-9-11-5-6-12(19-3)7-13(11)20-4/h5-7,10H,8-9,15H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine?
1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine has a molecular weight of 280.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 116515230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).