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

C19H21N — CID 114606074

IUPAC5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(C2CCC2)c(-c2cccc3c2CCNC3)c1
InChIInChI=1S/C19H21N/c1-2-9-18(16(8-1)14-5-3-6-14)19-10-4-7-15-13-20-12-11-17(15)19/h1-2,4,7-10,14,20H,3,5-6,11-13H2
InChIKeyPYPYGSMKROBCJP-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.27
Rot. Bonds2

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

5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 114606074) 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-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID114606074
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(C2CCC2)c(-c2cccc3c2CCNC3)c1
InChIInChI=1S/C19H21N/c1-2-9-18(16(8-1)14-5-3-6-14)19-10-4-7-15-13-20-12-11-17(15)19/h1-2,4,7-10,14,20H,3,5-6,11-13H2
InChIKeyPYPYGSMKROBCJP-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline
CID 114606069
5-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779728
5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104559526
5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 118428911
3-(oxan-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559129
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56861224
1-cyclobutyl-2-phenylbenzene
CID 23453799
4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol
CID 56862165
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine
CID 56864418
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 114606074) is 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline is c1ccc(C2CCC2)c(-c2cccc3c2CCNC3)c1.
What is the InChIKey of 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PYPYGSMKROBCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-9-18(16(8-1)14-5-3-6-14)19-10-4-7-15-13-20-12-11-17(15)19/h1-2,4,7-10,14,20H,3,5-6,11-13H2.
What are the key properties of 5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline?
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.38 g/mol, XLogP of 4.27, 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-tetrahydroisoquinoline is sourced from PubChem (CID 114606074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).