chempirical

Phentolamine

C17H19N3OCAS 50-60-2281.36 g/mol

Open in Covalent MOL file
NNHNHO
AmidinePhenolTertiary amine

Properties

Molecular formula
C17H19N3O
Molar mass
281.36 g/mol
Exact mass
281.1528 Da
Melting point
174–175 °C
logP
2.84Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Identifiers

CAS number
50-60-2
SMILES
Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
InChIKey
MRBDMNSDAVCSSF-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Phenol, 3-[[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]-
  • Phenol, m-[N-(2-imidazolin-2-ylmethyl)-p-toluidino]-
  • 3-[[(4,5-Dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]phenol
  • C 7337 Ciba
  • 2-[[N-(m-Hydroxyphenyl)-p-toluidino]methyl]-2-imidazoline
  • 2-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline
  • Regitin
  • Regitine
  • 2-(N′-p-Tolyl-N′-m-hydroxyphenylaminomethyl)-2-imidazoline
  • Fentolamine
  • C 7337
  • Dibasin
  • 3-(((4,5-Dihydro-1H-imidazol-2-yl)methyl)(p-tolyl)amino)phenol
  • 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amino]-phenol
  • 3-[(4,5-Dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]benzenolate

Work with Phentolamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phentolamine methanesulfonate65-28-181 % similar Antazoline91-75-842 % similar Antazoline hydrochloride2508-72-739 % similar 3-[(4-Methylphenyl)amino]phenol61537-49-338 % similar Antazoline phosphate154-68-738 % similar 3-(Diethylamino)phenol91-68-937 % similar 3-(Dimethylamino)phenol99-07-036 % similar M-Cresol108-39-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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