2-[2-(3-methoxyphenyl)ethylamino]guanidine

C10H16N4O — CID 95440152

IUPAC2-[2-(3-methoxyphenyl)ethylamino]guanidine
SMILESCOc1cccc(CCNN=C(N)N)c1
InChIInChI=1S/C10H16N4O/c1-15-9-4-2-3-8(7-9)5-6-13-14-10(11)12/h2-4,7,13H,5-6H2,1H3,(H4,11,12,14)
InChIKeyFEBPMXMIOQCCDP-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.02
Rot. Bonds5

About 2-[2-(3-methoxyphenyl)ethylamino]guanidine

2-[2-(3-methoxyphenyl)ethylamino]guanidine (PubChem CID 95440152) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethylamino]guanidine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethylamino]guanidine
PubChem CID95440152
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name2-[2-(3-methoxyphenyl)ethylamino]guanidine
SMILESCOc1cccc(CCNN=C(N)N)c1
InChIInChI=1S/C10H16N4O/c1-15-9-4-2-3-8(7-9)5-6-13-14-10(11)12/h2-4,7,13H,5-6H2,1H3,(H4,11,12,14)
InChIKeyFEBPMXMIOQCCDP-UHFFFAOYSA-N
XLogP0.02
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
CID 107853324
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 107852085
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
1-methoxy-3-propylbenzene
CID 14270128
N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide
CID 114009617
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
magnesium;1-methoxy-3-propylbenzene;bromide
CID 14861069
N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide
CID 177365516

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]guanidine?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]guanidine (CID 95440152) is 2-[2-(3-methoxyphenyl)ethylamino]guanidine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethylamino]guanidine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethylamino]guanidine is COc1cccc(CCNN=C(N)N)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethylamino]guanidine?
The InChIKey is FEBPMXMIOQCCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-9-4-2-3-8(7-9)5-6-13-14-10(11)12/h2-4,7,13H,5-6H2,1H3,(H4,11,12,14).
What are the key properties of 2-[2-(3-methoxyphenyl)ethylamino]guanidine?
2-[2-(3-methoxyphenyl)ethylamino]guanidine has a molecular weight of 208.27 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethylamino]guanidine is sourced from PubChem (CID 95440152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).