1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine

C11H18N4O — CID 116511523

IUPAC1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
SMILESCC/N=C(\NN)Nc1ccc(OCC)cc1
InChIInChI=1S/C11H18N4O/c1-3-13-11(15-12)14-9-5-7-10(8-6-9)16-4-2/h5-8H,3-4,12H2,1-2H3,(H2,13,14,15)
InChIKeySSDRUVRMEDMPRX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.34
Rot. Bonds4

About 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine

1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine (PubChem CID 116511523) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
PubChem CID116511523
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
SMILESCC/N=C(\NN)Nc1ccc(OCC)cc1
InChIInChI=1S/C11H18N4O/c1-3-13-11(15-12)14-9-5-7-10(8-6-9)16-4-2/h5-8H,3-4,12H2,1-2H3,(H2,13,14,15)
InChIKeySSDRUVRMEDMPRX-UHFFFAOYSA-N
XLogP1.34
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-3-(4-propylphenyl)guanidine
CID 116513167
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
1-amino-2-methyl-3-(4-propoxyphenyl)guanidine
CID 116510801
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine
CID 90644712
1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
CID 90644750
2-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine;hydrochloride
CID 10827
CID 87125510
CID 87125510
1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine
CID 116511806

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine?
The IUPAC name of 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine (CID 116511523) is 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine.
What is the SMILES notation for 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine?
The canonical SMILES for 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine is CC/N=C(\NN)Nc1ccc(OCC)cc1.
What is the InChIKey of 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine?
The InChIKey is SSDRUVRMEDMPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-13-11(15-12)14-9-5-7-10(8-6-9)16-4-2/h5-8H,3-4,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine?
1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine has a molecular weight of 222.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine is sourced from PubChem (CID 116511523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).