[(4-bromophenyl)-dideuteriomethyl]azanium

C7H9BrN+ — CID 140689905

IUPAC[(4-bromophenyl)-dideuteriomethyl]azanium
SMILES[2H]C([2H])([NH3+])c1ccc(Br)cc1
InChIInChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1/i5D2
InChIKeyXRNVSPDQTPVECU-BFWBPSQCSA-O
MW189.07 g/mol
LogP1.19
Rot. Bonds1

About [(4-bromophenyl)-dideuteriomethyl]azanium

[(4-bromophenyl)-dideuteriomethyl]azanium (PubChem CID 140689905) has the molecular formula C7H9BrN+ and a molecular weight of 189.07 g/mol. Its IUPAC name is [(4-bromophenyl)-dideuteriomethyl]azanium.

Molecular Properties

Compound Name[(4-bromophenyl)-dideuteriomethyl]azanium
PubChem CID140689905
Molecular FormulaC7H9BrN+
Molecular Weight189.07 g/mol
Exact Mass188.00
IUPAC Name[(4-bromophenyl)-dideuteriomethyl]azanium
SMILES[2H]C([2H])([NH3+])c1ccc(Br)cc1
InChIInChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1/i5D2
InChIKeyXRNVSPDQTPVECU-BFWBPSQCSA-O
XLogP1.19
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(4-bromophenyl)methylazanium
CID 6951353
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-bromo-4-ethylbenzene
CID 20805498
CID 11811178
CID 11811178
1-bromo-4-ethylbenzene
CID 15313
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
azane;1,4-dibromobenzene
CID 175259215
zinc;1-bromo-4-ethylbenzene;bromide
CID 175687817
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
1-bromo-4-ethylbenzene;N-methylmethanamine
CID 143984882
(4-bromophenyl)methyl-oxosulfanium
CID 158930689
[4-(4-bromophenyl)phenyl]methanol
CID 1393673

Frequently Asked Questions

What is the IUPAC name of [(4-bromophenyl)-dideuteriomethyl]azanium?
The IUPAC name of [(4-bromophenyl)-dideuteriomethyl]azanium (CID 140689905) is [(4-bromophenyl)-dideuteriomethyl]azanium.
What is the SMILES notation for [(4-bromophenyl)-dideuteriomethyl]azanium?
The canonical SMILES for [(4-bromophenyl)-dideuteriomethyl]azanium is [2H]C([2H])([NH3+])c1ccc(Br)cc1.
What is the InChIKey of [(4-bromophenyl)-dideuteriomethyl]azanium?
The InChIKey is XRNVSPDQTPVECU-BFWBPSQCSA-O. The full InChI is InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1/i5D2.
What are the key properties of [(4-bromophenyl)-dideuteriomethyl]azanium?
[(4-bromophenyl)-dideuteriomethyl]azanium has a molecular weight of 189.07 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromophenyl)-dideuteriomethyl]azanium is sourced from PubChem (CID 140689905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).