benzyl(methyl)azanium chloride

C8H12ClN — CID 25979

IUPACbenzyl(methyl)azanium chloride
SMILESC[NH2+]Cc1ccccc1.[Cl-]
InChIInChI=1S/C8H11N.ClH/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H
InChIKeyCBSOFSBFHDQRLV-UHFFFAOYSA-N
MW157.64 g/mol
LogP-2.62
Rot. Bonds2

About benzyl(methyl)azanium chloride

benzyl(methyl)azanium chloride (PubChem CID 25979) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is benzyl(methyl)azanium chloride.

Molecular Properties

Compound Namebenzyl(methyl)azanium chloride
PubChem CID25979
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Namebenzyl(methyl)azanium chloride
SMILESC[NH2+]Cc1ccccc1.[Cl-]
InChIInChI=1S/C8H11N.ClH/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H
InChIKeyCBSOFSBFHDQRLV-UHFFFAOYSA-N
XLogP-2.62
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 5-2.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzyl(methyl)azanium chloride?
The IUPAC name of benzyl(methyl)azanium chloride (CID 25979) is benzyl(methyl)azanium chloride.
What is the SMILES notation for benzyl(methyl)azanium chloride?
The canonical SMILES for benzyl(methyl)azanium chloride is C[NH2+]Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl(methyl)azanium chloride?
The InChIKey is CBSOFSBFHDQRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H.
What are the key properties of benzyl(methyl)azanium chloride?
benzyl(methyl)azanium chloride has a molecular weight of 157.64 g/mol, XLogP of -2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(methyl)azanium chloride is sourced from PubChem (CID 25979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).