6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline

C18H21N — CID 55197505

IUPAC6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C18H21N/c1-13(2)14-5-7-15(8-6-14)16-9-10-18-17(12-16)4-3-11-19-18/h5-10,12-13,19H,3-4,11H2,1-2H3
InChIKeyVCLLJCZLYRBWSW-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.84
Rot. Bonds2

About 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline

6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 55197505) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID55197505
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C18H21N/c1-13(2)14-5-7-15(8-6-14)16-9-10-18-17(12-16)4-3-11-19-18/h5-10,12-13,19H,3-4,11H2,1-2H3
InChIKeyVCLLJCZLYRBWSW-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224090
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 63950356
6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline
CID 23004941
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid
CID 39226300
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline (CID 55197505) is 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline is CC(C)c1ccc(-c2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VCLLJCZLYRBWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13(2)14-5-7-15(8-6-14)16-9-10-18-17(12-16)4-3-11-19-18/h5-10,12-13,19H,3-4,11H2,1-2H3.
What are the key properties of 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline?
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 55197505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).