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

C19H22FN — CID 105379498

IUPAC6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)ccc1CCc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C19H22FN/c1-13-11-18(20)9-8-16(13)7-4-15-5-10-19-17(12-15)6-3-14(2)21-19/h5,8-12,14,21H,3-4,6-7H2,1-2H3
InChIKeyWSEZGSMUTXNFCN-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.67
Rot. Bonds3

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

6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 105379498) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID105379498
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)ccc1CCc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C19H22FN/c1-13-11-18(20)9-8-16(13)7-4-15-5-10-19-17(12-15)6-3-14(2)21-19/h5,8-12,14,21H,3-4,6-7H2,1-2H3
InChIKeyWSEZGSMUTXNFCN-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2-(2-methoxyphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379417
2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 105379469
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882345
N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215085
2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline
CID 106778090
6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 81224165
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379430
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955508
2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105379418
6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 81224871

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 105379498) is 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline is Cc1cc(F)ccc1CCc1ccc2c(c1)CCC(C)N2.
What is the InChIKey of 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WSEZGSMUTXNFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13-11-18(20)9-8-16(13)7-4-15-5-10-19-17(12-15)6-3-14(2)21-19/h5,8-12,14,21H,3-4,6-7H2,1-2H3.
What are the key properties of 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 283.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105379498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).