6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

C19H22FN — CID 106882345

IUPAC6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(Cc2ccc3c(c2)CCC(C)N3)c(F)c1
InChIInChI=1S/C19H22FN/c1-12-8-13(2)17(18(20)9-12)11-15-5-7-19-16(10-15)6-4-14(3)21-19/h5,7-10,14,21H,4,6,11H2,1-3H3
InChIKeyWRTIKZZRIDGPSP-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.78
Rot. Bonds2

About 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106882345) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106882345
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(Cc2ccc3c(c2)CCC(C)N3)c(F)c1
InChIInChI=1S/C19H22FN/c1-12-8-13(2)17(18(20)9-12)11-15-5-7-19-16(10-15)6-4-14(3)21-19/h5,7-10,14,21H,4,6,11H2,1-3H3
InChIKeyWRTIKZZRIDGPSP-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 106882345) is 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is Cc1cc(C)c(Cc2ccc3c(c2)CCC(C)N3)c(F)c1.
What is the InChIKey of 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WRTIKZZRIDGPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-12-8-13(2)17(18(20)9-12)11-15-5-7-19-16(10-15)6-4-14(3)21-19/h5,7-10,14,21H,4,6,11H2,1-3H3.
What are the key properties of 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 283.39 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106882345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).