6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

C20H25N — CID 142306810

IUPAC6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(Cc2ccccc2)cc2c1NCCC2C(C)C
InChIInChI=1S/C20H25N/c1-14(2)18-9-10-21-20-15(3)11-17(13-19(18)20)12-16-7-5-4-6-8-16/h4-8,11,13-14,18,21H,9-10,12H2,1-3H3
InChIKeyHNZPXFNONJUIOG-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.14
Rot. Bonds3

About 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 142306810) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID142306810
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(Cc2ccccc2)cc2c1NCCC2C(C)C
InChIInChI=1S/C20H25N/c1-14(2)18-9-10-21-20-15(3)11-17(13-19(18)20)12-16-7-5-4-6-8-16/h4-8,11,13-14,18,21H,9-10,12H2,1-3H3
InChIKeyHNZPXFNONJUIOG-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142307127
6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306731
4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142306893
6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306693
3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142307025
6-benzyl-4-tert-butyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 134338559
4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306928
ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134352008
(2S)-2-amino-N-[(4R)-6-benzyl-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338768
2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide
CID 134338621
[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine
CID 142307126
N-(6-benzyl-8-hydroxy-1,2,3,4-tetrahydroquinolin-4-yl)-6-hydroxy-4-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 142307103

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 142306810) is 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is Cc1cc(Cc2ccccc2)cc2c1NCCC2C(C)C.
What is the InChIKey of 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HNZPXFNONJUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(2)18-9-10-21-20-15(3)11-17(13-19(18)20)12-16-7-5-4-6-8-16/h4-8,11,13-14,18,21H,9-10,12H2,1-3H3.
What are the key properties of 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 279.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142306810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).