8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C19H23N — CID 64989812

IUPAC8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(Cc2cccc3c2NCCC3)cc1C
InChIInChI=1S/C19H23N/c1-13-10-15(3)18(11-14(13)2)12-17-7-4-6-16-8-5-9-20-19(16)17/h4,6-7,10-11,20H,5,8-9,12H2,1-3H3
InChIKeyDPASQHLZKJHWKJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.56
Rot. Bonds2

About 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 64989812) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID64989812
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(Cc2cccc3c2NCCC3)cc1C
InChIInChI=1S/C19H23N/c1-13-10-15(3)18(11-14(13)2)12-17-7-4-6-16-8-5-9-20-19(16)17/h4,6-7,10-11,20H,5,8-9,12H2,1-3H3
InChIKeyDPASQHLZKJHWKJ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 64989812) is 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1cc(C)c(Cc2cccc3c2NCCC3)cc1C.
What is the InChIKey of 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is DPASQHLZKJHWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13-10-15(3)18(11-14(13)2)12-17-7-4-6-16-8-5-9-20-19(16)17/h4,6-7,10-11,20H,5,8-9,12H2,1-3H3.
What are the key properties of 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 64989812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).