N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide

C19H19N3OS — CID 10131918

IUPACN'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide
SMILESCNCc1cc(/N=C(\N)c2cccs2)ccc1Oc1ccccc1
InChIInChI=1S/C19H19N3OS/c1-21-13-14-12-15(22-19(20)18-8-5-11-24-18)9-10-17(14)23-16-6-3-2-4-7-16/h2-12,21H,13H2,1H3,(H2,20,22)
InChIKeyFHQHEWCYRJTXIV-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.30
Rot. Bonds6

About N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide

N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide (PubChem CID 10131918) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide
PubChem CID10131918
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide
SMILESCNCc1cc(/N=C(\N)c2cccs2)ccc1Oc1ccccc1
InChIInChI=1S/C19H19N3OS/c1-21-13-14-12-15(22-19(20)18-8-5-11-24-18)9-10-17(14)23-16-6-3-2-4-7-16/h2-12,21H,13H2,1H3,(H2,20,22)
InChIKeyFHQHEWCYRJTXIV-UHFFFAOYSA-N
XLogP4.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.30
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'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide
CID 10156689
N'-[4-cyclopentyloxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70131489
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-[2-methoxy-5-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70132259
N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
CID 70131323
N'-[2-methoxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70132570
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(4-phenoxyphenyl)butanamide
CID 22646356
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
CID 126806587
N'-[2-[(2-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]thiophene-2-carboximidamide;dihydrobromide
CID 23298413
N'-[3-(2-anilinoethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 67795805
1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149

Frequently Asked Questions

What is the IUPAC name of N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide (CID 10131918) is N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide is CNCc1cc(/N=C(\N)c2cccs2)ccc1Oc1ccccc1.
What is the InChIKey of N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide?
The InChIKey is FHQHEWCYRJTXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-21-13-14-12-15(22-19(20)18-8-5-11-24-18)9-10-17(14)23-16-6-3-2-4-7-16/h2-12,21H,13H2,1H3,(H2,20,22).
What are the key properties of N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide?
N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide has a molecular weight of 337.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 10131918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).