bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium

C22H24BrNP+ — CID 163376033

IUPACbromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium
SMILESCN(C)CCc1ccccc1[P+](Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24BrNP/c1-24(2)18-17-19-11-9-10-16-22(19)25(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16H,17-18H2,1-2H3/q+1
InChIKeyORSCHFPJASSHKF-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.39
Rot. Bonds6

About bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium

bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium (PubChem CID 163376033) has the molecular formula C22H24BrNP+ and a molecular weight of 413.32 g/mol. Its IUPAC name is bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium.

Molecular Properties

Compound Namebromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium
PubChem CID163376033
Molecular FormulaC22H24BrNP+
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Namebromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium
SMILESCN(C)CCc1ccccc1[P+](Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24BrNP/c1-24(2)18-17-19-11-9-10-16-22(19)25(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16H,17-18H2,1-2H3/q+1
InChIKeyORSCHFPJASSHKF-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine
CID 57171134
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
2-[2-(dimethylamino)ethyl]benzenesulfinate
CID 70894494
2-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 69371931
(2-butylphenyl)-diphenyl-propylphosphanium
CID 174142547
N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine
CID 88690466
2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid
CID 175928766
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
2-bromo-N,N-dimethylethanamine;triphenylphosphane
CID 87108889
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
2-[2-(2-bromophenyl)ethyl-methylcarbamoyl]butanoic acid
CID 115186104
chloro-[2-(methoxymethyl)phenyl]-diphenylphosphanium
CID 171625135

Frequently Asked Questions

What is the IUPAC name of bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium?
The IUPAC name of bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium (CID 163376033) is bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium.
What is the SMILES notation for bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium?
The canonical SMILES for bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium is CN(C)CCc1ccccc1[P+](Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium?
The InChIKey is ORSCHFPJASSHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrNP/c1-24(2)18-17-19-11-9-10-16-22(19)25(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16H,17-18H2,1-2H3/q+1.
What are the key properties of bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium?
bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium has a molecular weight of 413.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium is sourced from PubChem (CID 163376033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).