2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline

C16H15F2N — CID 115502761

IUPAC2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1c1cccc(F)c1F
InChIInChI=1S/C16H15F2N/c1-10-9-11-5-2-3-8-14(11)19-16(10)12-6-4-7-13(17)15(12)18/h2-8,10,16,19H,9H2,1H3
InChIKeyMXZDXDSETWOZBN-UHFFFAOYSA-N
MW259.30 g/mol
LogP4.31
Rot. Bonds1

About 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline

2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 115502761) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID115502761
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1c1cccc(F)c1F
InChIInChI=1S/C16H15F2N/c1-10-9-11-5-2-3-8-14(11)19-16(10)12-6-4-7-13(17)15(12)18/h2-8,10,16,19H,9H2,1H3
InChIKeyMXZDXDSETWOZBN-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 115503214
2-(2-methoxy-3,4-dimethylphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106781932
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811
2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106777861
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
4-(2,3-difluorophenyl)azepane
CID 83262443
3-(2,3-difluorophenyl)-2-methylpyrrolidine
CID 63667430
2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106781039

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline (CID 115502761) is 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline is CC1Cc2ccccc2NC1c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is MXZDXDSETWOZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-10-9-11-5-2-3-8-14(11)19-16(10)12-6-4-7-13(17)15(12)18/h2-8,10,16,19H,9H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.30 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115502761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).