1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine

C13H22N4O2 — CID 116513815

IUPAC1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C13H22N4O2/c1-9-7-11(5-6-12(9)19-4)16-13(17-14)15-10(2)8-18-3/h5-7,10H,8,14H2,1-4H3,(H2,15,16,17)
InChIKeyZOWSFQQQCDUTJI-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.27
Rot. Bonds5

About 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine

1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine (PubChem CID 116513815) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine
PubChem CID116513815
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C13H22N4O2/c1-9-7-11(5-6-12(9)19-4)16-13(17-14)15-10(2)8-18-3/h5-7,10H,8,14H2,1-4H3,(H2,15,16,17)
InChIKeyZOWSFQQQCDUTJI-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
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

1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
1-amino-2-(1-methoxypropan-2-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 116514677
1-amino-3-(3-bromo-4-fluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116516443
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 116512716
1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine
CID 107587201
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine
CID 116513645
1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 103417257
1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 107639656
1-amino-2-(1-methoxypropan-2-yl)-3-quinolin-3-ylguanidine
CID 116511116
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine
CID 116513187
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
1-amino-3-(2-chloro-4,6-difluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104887980

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine (CID 116513815) is 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine is COCC(C)/N=C(\NN)Nc1ccc(OC)c(C)c1.
What is the InChIKey of 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine?
The InChIKey is ZOWSFQQQCDUTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-7-11(5-6-12(9)19-4)16-13(17-14)15-10(2)8-18-3/h5-7,10H,8,14H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine?
1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine has a molecular weight of 266.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 116513815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).