N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide

C15H19N3O — CID 141106942

IUPACN'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide
SMILESCN(C)CC/N=C(\N)c1ccoc1-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-18(2)10-9-17-15(16)13-8-11-19-14(13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17)
InChIKeyWYKIBFOFEGDKMQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds5

About N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide

N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide (PubChem CID 141106942) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide
PubChem CID141106942
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide
SMILESCN(C)CC/N=C(\N)c1ccoc1-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-18(2)10-9-17-15(16)13-8-11-19-14(13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17)
InChIKeyWYKIBFOFEGDKMQ-UHFFFAOYSA-N
XLogP2.21
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

lithium [N-[2-(dimethylamino)ethyl]-C-phenylcarbonimidoyl]-trimethylsilylazanide
CID 139066744
N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride
CID 70215645
trimethyl-(2-phenylfuran-3-yl)silane
CID 15916029
2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 130557075
2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride
CID 54606002
2-[2-(dimethylamino)ethyl]-1-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]guanidine
CID 89357062
N'-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboximidamide;hydrate;hydrochloride
CID 24834938
N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine
CID 62562414
3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride
CID 3031057
1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol
CID 137266787
2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine
CID 175433920
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide (CID 141106942) is N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide is CN(C)CC/N=C(\N)c1ccoc1-c1ccccc1.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide?
The InChIKey is WYKIBFOFEGDKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)10-9-17-15(16)13-8-11-19-14(13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17).
What are the key properties of N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide?
N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide has a molecular weight of 257.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-2-phenylfuran-3-carboximidamide is sourced from PubChem (CID 141106942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).