3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline

C19H21N — CID 79970904

IUPAC3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(CC2Cc3c(cccc3C3CC3)CN2)cc1
InChIInChI=1S/C19H21N/c1-2-5-14(6-3-1)11-17-12-19-16(13-20-17)7-4-8-18(19)15-9-10-15/h1-8,15,17,20H,9-13H2
InChIKeyDUJGDWZIXARRRE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.82
Rot. Bonds3

About 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline

3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 79970904) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID79970904
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(CC2Cc3c(cccc3C3CC3)CN2)cc1
InChIInChI=1S/C19H21N/c1-2-5-14(6-3-1)11-17-12-19-16(13-20-17)7-4-8-18(19)15-9-10-15/h1-8,15,17,20H,9-13H2
InChIKeyDUJGDWZIXARRRE-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 59323086
2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 62721697
3-benzyl-7-chloro-1,2,3,4-tetrahydroisoquinoline
CID 62721512
(4S)-4-benzyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
CID 97102714
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84718500
(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
CID 83875727
3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
CID 145489428
3-benzyl-6-methyl-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline
CID 115420221
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
3-benzyl-2,3,4,5-tetrahydro-1H-benzo[h][1,4]benzodiazepine
CID 18422490
[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130977729

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline (CID 79970904) is 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline is c1ccc(CC2Cc3c(cccc3C3CC3)CN2)cc1.
What is the InChIKey of 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DUJGDWZIXARRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-5-14(6-3-1)11-17-12-19-16(13-20-17)7-4-8-18(19)15-9-10-15/h1-8,15,17,20H,9-13H2.
What are the key properties of 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 79970904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).