1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride

C17H21ClFN — CID 172876636

IUPAC1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1c(C)cc(-c2ccc(C)cc2F)cc1C.Cl
InChIInChI=1S/C17H20FN.ClH/c1-11-5-6-15(17(18)7-11)14-8-12(2)16(10-19-4)13(3)9-14;/h5-9,19H,10H2,1-4H3;1H
InChIKeyPHKWLIJPHZFUPE-UHFFFAOYSA-N
MW293.81 g/mol
LogP4.56
Rot. Bonds3

About 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride

1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride (PubChem CID 172876636) has the molecular formula C17H21ClFN and a molecular weight of 293.81 g/mol. Its IUPAC name is 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
PubChem CID172876636
Molecular FormulaC17H21ClFN
Molecular Weight293.81 g/mol
Exact Mass293.13
IUPAC Name1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1c(C)cc(-c2ccc(C)cc2F)cc1C.Cl
InChIInChI=1S/C17H20FN.ClH/c1-11-5-6-15(17(18)7-11)14-8-12(2)16(10-19-4)13(3)9-14;/h5-9,19H,10H2,1-4H3;1H
InChIKeyPHKWLIJPHZFUPE-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride (CID 172876636) is 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride is CNCc1c(C)cc(-c2ccc(C)cc2F)cc1C.Cl.
What is the InChIKey of 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is PHKWLIJPHZFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN.ClH/c1-11-5-6-15(17(18)7-11)14-8-12(2)16(10-19-4)13(3)9-14;/h5-9,19H,10H2,1-4H3;1H.
What are the key properties of 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride?
1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 293.81 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 172876636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).