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

C17H18FN — CID 64955508

IUPAC2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)ccc1CC1CCc2ccccc2N1
InChIInChI=1S/C17H18FN/c1-12-10-15(18)8-6-14(12)11-16-9-7-13-4-2-3-5-17(13)19-16/h2-6,8,10,16,19H,7,9,11H2,1H3
InChIKeyWMTXMDWOPKTRFJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.10
Rot. Bonds2

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

2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 64955508) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID64955508
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)ccc1CC1CCc2ccccc2N1
InChIInChI=1S/C17H18FN/c1-12-10-15(18)8-6-14(12)11-16-9-7-13-4-2-3-5-17(13)19-16/h2-6,8,10,16,19H,7,9,11H2,1H3
InChIKeyWMTXMDWOPKTRFJ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 64955508) is 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1cc(F)ccc1CC1CCc2ccccc2N1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is WMTXMDWOPKTRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-10-15(18)8-6-14(12)11-16-9-7-13-4-2-3-5-17(13)19-16/h2-6,8,10,16,19H,7,9,11H2,1H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 255.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 64955508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).