[4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride

C15H17ClFN — CID 172876719

IUPAC[4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride
SMILESCc1cc(-c2ccccc2F)cc(C)c1CN.Cl
InChIInChI=1S/C15H16FN.ClH/c1-10-7-12(8-11(2)14(10)9-17)13-5-3-4-6-15(13)16;/h3-8H,9,17H2,1-2H3;1H
InChIKeyDMKTUGNOCPYZBZ-UHFFFAOYSA-N
MW265.76 g/mol
LogP3.99
Rot. Bonds2

About [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride

[4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride (PubChem CID 172876719) has the molecular formula C15H17ClFN and a molecular weight of 265.76 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride
PubChem CID172876719
Molecular FormulaC15H17ClFN
Molecular Weight265.76 g/mol
Exact Mass265.10
IUPAC Name[4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride
SMILESCc1cc(-c2ccccc2F)cc(C)c1CN.Cl
InChIInChI=1S/C15H16FN.ClH/c1-10-7-12(8-11(2)14(10)9-17)13-5-3-4-6-15(13)16;/h3-8H,9,17H2,1-2H3;1H
InChIKeyDMKTUGNOCPYZBZ-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride?
The IUPAC name of [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride (CID 172876719) is [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride is Cc1cc(-c2ccccc2F)cc(C)c1CN.Cl.
What is the InChIKey of [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride?
The InChIKey is DMKTUGNOCPYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN.ClH/c1-10-7-12(8-11(2)14(10)9-17)13-5-3-4-6-15(13)16;/h3-8H,9,17H2,1-2H3;1H.
What are the key properties of [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride?
[4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride has a molecular weight of 265.76 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride is sourced from PubChem (CID 172876719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).