(2-bromophenyl)-methylazanium

C7H9BrN+ — CID 144971352

IUPAC(2-bromophenyl)-methylazanium
SMILESC[NH2+]c1ccccc1Br
InChIInChI=1S/C7H8BrN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3/p+1
InChIKeySMVIAQFTVWDWDS-UHFFFAOYSA-O
MW187.06 g/mol
LogP1.27
Rot. Bonds1

About (2-bromophenyl)-methylazanium

(2-bromophenyl)-methylazanium (PubChem CID 144971352) has the molecular formula C7H9BrN+ and a molecular weight of 187.06 g/mol. Its IUPAC name is (2-bromophenyl)-methylazanium.

Molecular Properties

Compound Name(2-bromophenyl)-methylazanium
PubChem CID144971352
Molecular FormulaC7H9BrN+
Molecular Weight187.06 g/mol
Exact Mass185.99
IUPAC Name(2-bromophenyl)-methylazanium
SMILESC[NH2+]c1ccccc1Br
InChIInChI=1S/C7H8BrN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3/p+1
InChIKeySMVIAQFTVWDWDS-UHFFFAOYSA-O
XLogP1.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.06
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl)-methylazanium
CID 24848187
1,4-dibromonaphthalene
CID 162208061
1-bromonaphthalene;methanamine
CID 143041720
1-bromo-2-fluorobenzene;ethane
CID 91109851
(2-bromophenyl)phosphane;ethane
CID 91051299
[2-[(E)-2-carboxyprop-1-enyl]phenyl]-methylazanium;ethane
CID 156805282
N-(2-bromophenyl)sulfanylmethanamine
CID 123355576
2-bromo-N-methyl-N-propan-2-ylaniline
CID 53401387
Bis(2-bromophenyl)methylsilane
CID 13219752
2-bromoaniline
CID 162048621
2,3-dibromotriphenylene
CID 164807175
6-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-thiol
CID 71309862

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-methylazanium?
The IUPAC name of (2-bromophenyl)-methylazanium (CID 144971352) is (2-bromophenyl)-methylazanium.
What is the SMILES notation for (2-bromophenyl)-methylazanium?
The canonical SMILES for (2-bromophenyl)-methylazanium is C[NH2+]c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-methylazanium?
The InChIKey is SMVIAQFTVWDWDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8BrN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3/p+1.
What are the key properties of (2-bromophenyl)-methylazanium?
(2-bromophenyl)-methylazanium has a molecular weight of 187.06 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-methylazanium is sourced from PubChem (CID 144971352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).