phenylmethanamine;dodecahydrobromide

C7H21Br12N — CID 175510511

IUPACphenylmethanamine;dodecahydrobromide
SMILESBr.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.NCc1ccccc1
InChIInChI=1S/C7H9N.12BrH/c8-6-7-4-2-1-3-5-7;;;;;;;;;;;;/h1-5H,6,8H2;12*1H
InChIKeyVUZWEOHAFOIVCT-UHFFFAOYSA-N
MW1078.10 g/mol
LogP8.08
Rot. Bonds1

About phenylmethanamine;dodecahydrobromide

phenylmethanamine;dodecahydrobromide (PubChem CID 175510511) has the molecular formula C7H21Br12N and a molecular weight of 1078.10 g/mol. Its IUPAC name is phenylmethanamine;dodecahydrobromide.

Molecular Properties

Compound Namephenylmethanamine;dodecahydrobromide
PubChem CID175510511
Molecular FormulaC7H21Br12N
Molecular Weight1078.10 g/mol
Exact Mass1066.19
IUPAC Namephenylmethanamine;dodecahydrobromide
SMILESBr.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.NCc1ccccc1
InChIInChI=1S/C7H9N.12BrH/c8-6-7-4-2-1-3-5-7;;;;;;;;;;;;/h1-5H,6,8H2;12*1H
InChIKeyVUZWEOHAFOIVCT-UHFFFAOYSA-N
XLogP8.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.10
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine
CID 19864074
phenylmethanamine;titanium(2+)
CID 21287655
sodium phenylmethanamine
CID 172793696
CID 174688914
CID 174688914
ethane;phenylmethanamine;vanadium
CID 158602574
difluoromethane;phenylmethanamine
CID 156875485
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
2,2-dimethylpropane;phenylmethanamine
CID 158787980
dibromolead;phenylmethanamine
CID 175060358
carbon dioxide;phenylmethanamine
CID 123245363
phenylmethanamine;tetramethylazanium;hydroxide
CID 174471017

Frequently Asked Questions

What is the IUPAC name of phenylmethanamine;dodecahydrobromide?
The IUPAC name of phenylmethanamine;dodecahydrobromide (CID 175510511) is phenylmethanamine;dodecahydrobromide.
What is the SMILES notation for phenylmethanamine;dodecahydrobromide?
The canonical SMILES for phenylmethanamine;dodecahydrobromide is Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.NCc1ccccc1.
What is the InChIKey of phenylmethanamine;dodecahydrobromide?
The InChIKey is VUZWEOHAFOIVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.12BrH/c8-6-7-4-2-1-3-5-7;;;;;;;;;;;;/h1-5H,6,8H2;12*1H.
What are the key properties of phenylmethanamine;dodecahydrobromide?
phenylmethanamine;dodecahydrobromide has a molecular weight of 1078.10 g/mol, XLogP of 8.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;dodecahydrobromide is sourced from PubChem (CID 175510511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).