(4-chloro-2-methylphenyl)azanium chloride

C7H9Cl2N — CID 164512235

IUPAC(4-chloro-2-methylphenyl)azanium chloride
SMILESCc1cc(Cl)ccc1[NH3+].[Cl-]
InChIInChI=1S/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H
InChIKeyVKYZDCTWJGBFDW-UHFFFAOYSA-N
MW178.06 g/mol
LogP-1.47
Rot. Bonds

About (4-chloro-2-methylphenyl)azanium chloride

(4-chloro-2-methylphenyl)azanium chloride (PubChem CID 164512235) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)azanium chloride.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)azanium chloride
PubChem CID164512235
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name(4-chloro-2-methylphenyl)azanium chloride
SMILESCc1cc(Cl)ccc1[NH3+].[Cl-]
InChIInChI=1S/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H
InChIKeyVKYZDCTWJGBFDW-UHFFFAOYSA-N
XLogP-1.47
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 7260
3-Chloro-4-methylaniline
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4-Chloro-2-toluidine
CID 7251
p-Chloro-o-toluidine hydrochloride
CID 18487
2-Chloro-p-toluidine
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Benzenamine, 4-chloro-2-(trifluoromethyl)-
CID 67961
2-Chloro-6-methylaniline
CID 6897
3-Chloro-4-methylaniline hydrochloride
CID 62651
4-Chloroaniline hydrochloride
CID 5284363
3-Chloro-2-methylaniline
CID 6894
2-Amino-5-chlorobenzonitrile
CID 80019

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)azanium chloride?
The IUPAC name of (4-chloro-2-methylphenyl)azanium chloride (CID 164512235) is (4-chloro-2-methylphenyl)azanium chloride.
What is the SMILES notation for (4-chloro-2-methylphenyl)azanium chloride?
The canonical SMILES for (4-chloro-2-methylphenyl)azanium chloride is Cc1cc(Cl)ccc1[NH3+].[Cl-].
What is the InChIKey of (4-chloro-2-methylphenyl)azanium chloride?
The InChIKey is VKYZDCTWJGBFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H.
What are the key properties of (4-chloro-2-methylphenyl)azanium chloride?
(4-chloro-2-methylphenyl)azanium chloride has a molecular weight of 178.06 g/mol, XLogP of -1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)azanium chloride is sourced from PubChem (CID 164512235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).