N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride

C14H19Cl2N3OS — CID 70132259

IUPACN'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
SMILESCNCc1ccc(OC)c(/N=C(\N)c2cccs2)c1.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-16-9-10-5-6-12(18-2)11(8-10)17-14(15)13-4-3-7-19-13;;/h3-8,16H,9H2,1-2H3,(H2,15,17);2*1H
InChIKeyJWCJIKOOZWEOBT-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.36
Rot. Bonds5

About N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride

N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 70132259) has the molecular formula C14H19Cl2N3OS and a molecular weight of 348.30 g/mol. Its IUPAC name is N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID70132259
Molecular FormulaC14H19Cl2N3OS
Molecular Weight348.30 g/mol
Exact Mass347.06
IUPAC NameN'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
SMILESCNCc1ccc(OC)c(/N=C(\N)c2cccs2)c1.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-16-9-10-5-6-12(18-2)11(8-10)17-14(15)13-4-3-7-19-13;;/h3-8,16H,9H2,1-2H3,(H2,15,17);2*1H
InChIKeyJWCJIKOOZWEOBT-UHFFFAOYSA-N
XLogP3.36
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-methoxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70132570
N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide
CID 10131918
N'-[4-cyclopentyloxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70131489
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
CID 70131323
bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 174695660
1-[4-methoxy-3-(2-phenylsulfanylethoxy)phenyl]-N-methylmethanamine
CID 79214023
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide
CID 22225903
N'-hydroxy-2-methoxy-4-[(1-thiophen-2-ylethylamino)methyl]benzenecarboximidamide
CID 106789560

Frequently Asked Questions

What is the IUPAC name of N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride (CID 70132259) is N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride is CNCc1ccc(OC)c(/N=C(\N)c2cccs2)c1.Cl.Cl.
What is the InChIKey of N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is JWCJIKOOZWEOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.2ClH/c1-16-9-10-5-6-12(18-2)11(8-10)17-14(15)13-4-3-7-19-13;;/h3-8,16H,9H2,1-2H3,(H2,15,17);2*1H.
What are the key properties of N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride?
N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 70132259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).