5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline

C19H21N — CID 114606069

IUPAC5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(C2CCC2)c(-c2cccc3c2CCCN3)c1
InChIInChI=1S/C19H21N/c1-2-9-16(15(8-1)14-6-3-7-14)17-10-4-12-19-18(17)11-5-13-20-19/h1-2,4,8-10,12,14,20H,3,5-7,11,13H2
InChIKeyCJIGTVZCZYKYSV-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.98
Rot. Bonds2

About 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline

5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 114606069) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID114606069
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(C2CCC2)c(-c2cccc3c2CCCN3)c1
InChIInChI=1S/C19H21N/c1-2-9-16(15(8-1)14-6-3-7-14)17-10-4-12-19-18(17)11-5-13-20-19/h1-2,4,8-10,12,14,20H,3,5-7,11,13H2
InChIKeyCJIGTVZCZYKYSV-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,2,3,4-tetrahydroquinolin-5-yl)phenol
CID 69017976
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 114606074
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 61336403
4-(4-cyclohexylphenyl)-2,3-dihydro-1H-indole
CID 116698555
5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 169122125
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole
CID 135387685
1-cyclobutyl-2-phenylbenzene
CID 23453799
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214682
cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610491
1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene
CID 144658616
1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen
CID 142484684
5-(4-phenyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62711092

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline (CID 114606069) is 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline is c1ccc(C2CCC2)c(-c2cccc3c2CCCN3)c1.
What is the InChIKey of 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is CJIGTVZCZYKYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-9-16(15(8-1)14-6-3-7-14)17-10-4-12-19-18(17)11-5-13-20-19/h1-2,4,8-10,12,14,20H,3,5-7,11,13H2.
What are the key properties of 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline?
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 263.38 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114606069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).