(3-methylnaphthalen-2-yl)azanium chloride

C11H12ClN — CID 21167

IUPAC(3-methylnaphthalen-2-yl)azanium chloride
SMILESCc1cc2ccccc2cc1[NH3+].[Cl-]
InChIInChI=1S/C11H11N.ClH/c1-8-6-9-4-2-3-5-10(9)7-11(8)12;/h2-7H,12H2,1H3;1H
InChIKeyVBKWOFQKNFMGPR-UHFFFAOYSA-N
MW193.68 g/mol
LogP-0.97
Rot. Bonds

About (3-methylnaphthalen-2-yl)azanium chloride

(3-methylnaphthalen-2-yl)azanium chloride (PubChem CID 21167) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is (3-methylnaphthalen-2-yl)azanium chloride.

Molecular Properties

Compound Name(3-methylnaphthalen-2-yl)azanium chloride
PubChem CID21167
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name(3-methylnaphthalen-2-yl)azanium chloride
SMILESCc1cc2ccccc2cc1[NH3+].[Cl-]
InChIInChI=1S/C11H11N.ClH/c1-8-6-9-4-2-3-5-10(9)7-11(8)12;/h2-7H,12H2,1H3;1H
InChIKeyVBKWOFQKNFMGPR-UHFFFAOYSA-N
XLogP-0.97
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

o-Tolidine
CID 8413
2-Naphthylamine
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1-Naphthylamine
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CID 16720
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CID 8717
1-Aminopyrene
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1,8-Diaminonaphthalene
CID 68067
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CID 13283
1-Aminoanthracene
CID 11885
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CID 108938
6-Aminochrysene
CID 17534

Frequently Asked Questions

What is the IUPAC name of (3-methylnaphthalen-2-yl)azanium chloride?
The IUPAC name of (3-methylnaphthalen-2-yl)azanium chloride (CID 21167) is (3-methylnaphthalen-2-yl)azanium chloride.
What is the SMILES notation for (3-methylnaphthalen-2-yl)azanium chloride?
The canonical SMILES for (3-methylnaphthalen-2-yl)azanium chloride is Cc1cc2ccccc2cc1[NH3+].[Cl-].
What is the InChIKey of (3-methylnaphthalen-2-yl)azanium chloride?
The InChIKey is VBKWOFQKNFMGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.ClH/c1-8-6-9-4-2-3-5-10(9)7-11(8)12;/h2-7H,12H2,1H3;1H.
What are the key properties of (3-methylnaphthalen-2-yl)azanium chloride?
(3-methylnaphthalen-2-yl)azanium chloride has a molecular weight of 193.68 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylnaphthalen-2-yl)azanium chloride is sourced from PubChem (CID 21167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).