1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine

C10H16N4O2 — CID 116510653

IUPAC1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C10H16N4O2/c1-12-10(14-11)13-7-4-8(15-2)6-9(5-7)16-3/h4-6H,11H2,1-3H3,(H2,12,13,14)
InChIKeyFMVMIQBHSKQQNP-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.56
Rot. Bonds3

About 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine

1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine (PubChem CID 116510653) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine
PubChem CID116510653
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C10H16N4O2/c1-12-10(14-11)13-7-4-8(15-2)6-9(5-7)16-3/h4-6H,11H2,1-3H3,(H2,12,13,14)
InChIKeyFMVMIQBHSKQQNP-UHFFFAOYSA-N
XLogP0.56
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.56
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

1-amino-3-(3,5-dimethoxyphenyl)-2-propan-2-ylguanidine
CID 116511960
1-amino-3-(4-fluoro-3-methoxyphenyl)-2-methylguanidine
CID 114841239
1-amino-3-(3-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 114262957
1-amino-3-(2-methoxyphenyl)-2-methylguanidine
CID 116510612
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
1-amino-2-methyl-3-(4-propoxyphenyl)guanidine
CID 116510801
1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine
CID 116510668
1-(3,5-dimethoxyphenyl)-3-(methylideneamino)thiourea
CID 144617256
3-[(3,5-dimethoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835943
1-amino-3-(2-chloro-5-methylphenyl)-2-methylguanidine
CID 107639638
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine (CID 116510653) is 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine is C/N=C(\NN)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine?
The InChIKey is FMVMIQBHSKQQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-12-10(14-11)13-7-4-8(15-2)6-9(5-7)16-3/h4-6H,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine?
1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine has a molecular weight of 224.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine is sourced from PubChem (CID 116510653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).