2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline

C22H29N — CID 10807358

IUPAC2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2c(c1)CCC(c1ccc(C(C)(C)C)cc1)N2
InChIInChI=1S/C22H29N/c1-15(2)17-8-12-21-18(14-17)9-13-20(23-21)16-6-10-19(11-7-16)22(3,4)5/h6-8,10-12,14-15,20,23H,9,13H2,1-5H3
InChIKeyWHVVSCUJEYSASR-UHFFFAOYSA-N
MW307.48 g/mol
LogP6.21
Rot. Bonds2

About 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline

2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 10807358) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID10807358
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2c(c1)CCC(c1ccc(C(C)(C)C)cc1)N2
InChIInChI=1S/C22H29N/c1-15(2)17-8-12-21-18(14-17)9-13-20(23-21)16-6-10-19(11-7-16)22(3,4)5/h6-8,10-12,14-15,20,23H,9,13H2,1-5H3
InChIKeyWHVVSCUJEYSASR-UHFFFAOYSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 3520254
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047714
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713
2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 3435203
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide
CID 164550207
2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 15458191
2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 4000551

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 10807358) is 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)c1ccc2c(c1)CCC(c1ccc(C(C)(C)C)cc1)N2.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WHVVSCUJEYSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-15(2)17-8-12-21-18(14-17)9-13-20(23-21)16-6-10-19(11-7-16)22(3,4)5/h6-8,10-12,14-15,20,23H,9,13H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 307.48 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 10807358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).