2-[(3-ethoxyphenyl)methylideneamino]guanidine

C10H14N4O — CID 76880079

IUPAC2-[(3-ethoxyphenyl)methylideneamino]guanidine
SMILESCCOc1cccc(C=NN=C(N)N)c1
InChIInChI=1S/C10H14N4O/c1-2-15-9-5-3-4-8(6-9)7-13-14-10(11)12/h3-7H,2H2,1H3,(H4,11,12,14)
InChIKeyJBDZSGQCEUKJSW-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.69
Rot. Bonds4

About 2-[(3-ethoxyphenyl)methylideneamino]guanidine

2-[(3-ethoxyphenyl)methylideneamino]guanidine (PubChem CID 76880079) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methylideneamino]guanidine
PubChem CID76880079
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[(3-ethoxyphenyl)methylideneamino]guanidine
SMILESCCOc1cccc(C=NN=C(N)N)c1
InChIInChI=1S/C10H14N4O/c1-2-15-9-5-3-4-8(6-9)7-13-14-10(11)12/h3-7H,2H2,1H3,(H4,11,12,14)
InChIKeyJBDZSGQCEUKJSW-UHFFFAOYSA-N
XLogP0.69
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
ethyl 5-[3-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]pentanoate
CID 168592145
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
CID 168591305
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
CID 74184183
2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine
CID 168593001

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-ethoxyphenyl)methylideneamino]guanidine (CID 76880079) is 2-[(3-ethoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-ethoxyphenyl)methylideneamino]guanidine is CCOc1cccc(C=NN=C(N)N)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methylideneamino]guanidine?
The InChIKey is JBDZSGQCEUKJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-15-9-5-3-4-8(6-9)7-13-14-10(11)12/h3-7H,2H2,1H3,(H4,11,12,14).
What are the key properties of 2-[(3-ethoxyphenyl)methylideneamino]guanidine?
2-[(3-ethoxyphenyl)methylideneamino]guanidine has a molecular weight of 206.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 76880079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).