6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline

C17H18FN — CID 81224871

IUPAC6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(F)c(-c2ccc3c(c2)CCC(C)N3)c1
InChIInChI=1S/C17H18FN/c1-11-3-7-16(18)15(9-11)13-6-8-17-14(10-13)5-4-12(2)19-17/h3,6-10,12,19H,4-5H2,1-2H3
InChIKeySFTJABUJRZMISC-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.55
Rot. Bonds1

About 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline

6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 81224871) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID81224871
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(F)c(-c2ccc3c(c2)CCC(C)N3)c1
InChIInChI=1S/C17H18FN/c1-11-3-7-16(18)15(9-11)13-6-8-17-14(10-13)5-4-12(2)19-17/h3,6-10,12,19H,4-5H2,1-2H3
InChIKeySFTJABUJRZMISC-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline (CID 81224871) is 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline is Cc1ccc(F)c(-c2ccc3c(c2)CCC(C)N3)c1.
What is the InChIKey of 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SFTJABUJRZMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-11-3-7-16(18)15(9-11)13-6-8-17-14(10-13)5-4-12(2)19-17/h3,6-10,12,19H,4-5H2,1-2H3.
What are the key properties of 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 255.34 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).