4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride

C19H27Cl2N3O — CID 23315119

IUPAC4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride
SMILESCOCC/N=C(\N)c1ccc(CCc2ccc(CN)cc2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-23-13-12-22-19(21)18-10-8-16(9-11-18)3-2-15-4-6-17(14-20)7-5-15;;/h4-11H,2-3,12-14,20H2,1H3,(H2,21,22);2*1H
InChIKeyUTZKXIABGCHYMK-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.13
Rot. Bonds8

About 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride

4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride (PubChem CID 23315119) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride
PubChem CID23315119
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride
SMILESCOCC/N=C(\N)c1ccc(CCc2ccc(CN)cc2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-23-13-12-22-19(21)18-10-8-16(9-11-18)3-2-15-4-6-17(14-20)7-5-15;;/h4-11H,2-3,12-14,20H2,1H3,(H2,21,22);2*1H
InChIKeyUTZKXIABGCHYMK-UHFFFAOYSA-N
XLogP3.13
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
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'}

Analyze 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
CID 3063603
4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 63181364
N'-[2-(2-methoxyethoxy)ethyl]benzenecarboximidamide
CID 63176381
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
N'-(2-methoxyethyl)pyridine-3-carboximidamide
CID 63181303
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
1-[2-(4-ethylphenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111435778
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N'-(pyridin-2-ylmethyl)benzenecarboximidamide;trihydrochloride
CID 23315122
2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
CID 103178437
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63182134

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride?
The IUPAC name of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride (CID 23315119) is 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride?
The canonical SMILES for 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride is COCC/N=C(\N)c1ccc(CCc2ccc(CN)cc2)cc1.Cl.Cl.
What is the InChIKey of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride?
The InChIKey is UTZKXIABGCHYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-23-13-12-22-19(21)18-10-8-16(9-11-18)3-2-15-4-6-17(14-20)7-5-15;;/h4-11H,2-3,12-14,20H2,1H3,(H2,21,22);2*1H.
What are the key properties of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride?
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 23315119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).