(2,3,4,5,6-pentamethylphenyl)methanamine chloride

C12H19ClN- — CID 45108831

IUPAC(2,3,4,5,6-pentamethylphenyl)methanamine chloride
SMILESCc1c(C)c(C)c(CN)c(C)c1C.[Cl-]
InChIInChI=1S/C12H19N.ClH/c1-7-8(2)10(4)12(6-13)11(5)9(7)3;/h6,13H2,1-5H3;1H/p-1
InChIKeyOOMHVEJZKZGYNM-UHFFFAOYSA-M
MW212.74 g/mol
LogP-0.31
Rot. Bonds1

About (2,3,4,5,6-pentamethylphenyl)methanamine chloride

(2,3,4,5,6-pentamethylphenyl)methanamine chloride (PubChem CID 45108831) has the molecular formula C12H19ClN- and a molecular weight of 212.74 g/mol. Its IUPAC name is (2,3,4,5,6-pentamethylphenyl)methanamine chloride.

Molecular Properties

Compound Name(2,3,4,5,6-pentamethylphenyl)methanamine chloride
PubChem CID45108831
Molecular FormulaC12H19ClN-
Molecular Weight212.74 g/mol
Exact Mass212.12
IUPAC Name(2,3,4,5,6-pentamethylphenyl)methanamine chloride
SMILESCc1c(C)c(C)c(CN)c(C)c1C.[Cl-]
InChIInChI=1S/C12H19N.ClH/c1-7-8(2)10(4)12(6-13)11(5)9(7)3;/h6,13H2,1-5H3;1H/p-1
InChIKeyOOMHVEJZKZGYNM-UHFFFAOYSA-M
XLogP-0.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.74
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentamethylphenyl)methanamine chloride?
The IUPAC name of (2,3,4,5,6-pentamethylphenyl)methanamine chloride (CID 45108831) is (2,3,4,5,6-pentamethylphenyl)methanamine chloride.
What is the SMILES notation for (2,3,4,5,6-pentamethylphenyl)methanamine chloride?
The canonical SMILES for (2,3,4,5,6-pentamethylphenyl)methanamine chloride is Cc1c(C)c(C)c(CN)c(C)c1C.[Cl-].
What is the InChIKey of (2,3,4,5,6-pentamethylphenyl)methanamine chloride?
The InChIKey is OOMHVEJZKZGYNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19N.ClH/c1-7-8(2)10(4)12(6-13)11(5)9(7)3;/h6,13H2,1-5H3;1H/p-1.
What are the key properties of (2,3,4,5,6-pentamethylphenyl)methanamine chloride?
(2,3,4,5,6-pentamethylphenyl)methanamine chloride has a molecular weight of 212.74 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentamethylphenyl)methanamine chloride is sourced from PubChem (CID 45108831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).