(2-methylphenyl)methylazanium chloride

C8H12ClN — CID 26942

IUPAC(2-methylphenyl)methylazanium chloride
SMILESCc1ccccc1C[NH3+].[Cl-]
InChIInChI=1S/C8H11N.ClH/c1-7-4-2-3-5-8(7)6-9;/h2-5H,6,9H2,1H3;1H
InChIKeyAFUROYYNHZQQOL-UHFFFAOYSA-N
MW157.64 g/mol
LogP-2.26
Rot. Bonds1

About (2-methylphenyl)methylazanium chloride

(2-methylphenyl)methylazanium chloride (PubChem CID 26942) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (2-methylphenyl)methylazanium chloride.

Molecular Properties

Compound Name(2-methylphenyl)methylazanium chloride
PubChem CID26942
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(2-methylphenyl)methylazanium chloride
SMILESCc1ccccc1C[NH3+].[Cl-]
InChIInChI=1S/C8H11N.ClH/c1-7-4-2-3-5-8(7)6-9;/h2-5H,6,9H2,1H3;1H
InChIKeyAFUROYYNHZQQOL-UHFFFAOYSA-N
XLogP-2.26
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 5-2.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-methylphenyl)ethylazanium chloride
CID 21115517
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
1-(chloromethyl)-2-methylbenzene
CID 11093
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
ethane;(2-methylphenyl)methanethiol
CID 142152334
CID 88723030
CID 88723030
1-methyl-2-(2-methylidenebutyl)benzene
CID 123760109
(2-hydroxyphenyl)methylazanium
CID 6930904
CID 165401665
CID 165401665
2-(2-methylphenyl)acetic acid
CID 67440217
CID 57429570
CID 57429570
CID 140700178
CID 140700178

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methylazanium chloride?
The IUPAC name of (2-methylphenyl)methylazanium chloride (CID 26942) is (2-methylphenyl)methylazanium chloride.
What is the SMILES notation for (2-methylphenyl)methylazanium chloride?
The canonical SMILES for (2-methylphenyl)methylazanium chloride is Cc1ccccc1C[NH3+].[Cl-].
What is the InChIKey of (2-methylphenyl)methylazanium chloride?
The InChIKey is AFUROYYNHZQQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH/c1-7-4-2-3-5-8(7)6-9;/h2-5H,6,9H2,1H3;1H.
What are the key properties of (2-methylphenyl)methylazanium chloride?
(2-methylphenyl)methylazanium chloride has a molecular weight of 157.64 g/mol, XLogP of -2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methylazanium chloride is sourced from PubChem (CID 26942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).