2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride

C10H18Cl2N4O — CID 18621832

IUPAC2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride
SMILESCON/C(N)=N/c1ccc(CCN)cc1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-15-14-10(12)13-9-4-2-8(3-5-9)6-7-11;;/h2-5H,6-7,11H2,1H3,(H3,12,13,14);2*1H
InChIKeyABBPLMMKJNKJRZ-UHFFFAOYSA-N
MW281.19 g/mol
LogP1.13
Rot. Bonds4

About 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride

2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride (PubChem CID 18621832) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride
PubChem CID18621832
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride
SMILESCON/C(N)=N/c1ccc(CCN)cc1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-15-14-10(12)13-9-4-2-8(3-5-9)6-7-11;;/h2-5H,6-7,11H2,1H3,(H3,12,13,14);2*1H
InChIKeyABBPLMMKJNKJRZ-UHFFFAOYSA-N
XLogP1.13
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 51.13
H-Bond Donors ≤ 53
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-[4-[2-[4-[[amino-(hydroxyamino)methylidene]amino]phenyl]ethyl]phenyl]-1-hydroxyguanidine;hydrochloride
CID 71717582
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine
CID 11244715
N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123594208
N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride
CID 45261184
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
N'-[4-(2-aminoethyl)phenyl]-1H-pyrrole-2-carboximidamide
CID 135601298
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
(2S,6R)-N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]-2,6-dimethylpiperidine-1-carboximidamide;hydrochloride
CID 162335340
(2R,6S)-N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]-2,6-dimethylpiperidine-1-carboximidamide
CID 118045643

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride?
The IUPAC name of 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride (CID 18621832) is 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride?
The canonical SMILES for 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride is CON/C(N)=N/c1ccc(CCN)cc1.Cl.Cl.
What is the InChIKey of 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride?
The InChIKey is ABBPLMMKJNKJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c1-15-14-10(12)13-9-4-2-8(3-5-9)6-7-11;;/h2-5H,6-7,11H2,1H3,(H3,12,13,14);2*1H.
What are the key properties of 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride?
2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride is sourced from PubChem (CID 18621832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).