(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline

C20H23N — CID 15751777

IUPAC(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
SMILESc1ccc(CN2CC[C@@H]3c4ccccc4CC[C@H]3C2)cc1
InChIInChI=1S/C20H23N/c1-2-6-16(7-3-1)14-21-13-12-20-18(15-21)11-10-17-8-4-5-9-19(17)20/h1-9,18,20H,10-15H2/t18-,20-/m0/s1
InChIKeyNQALPKAYZMMWEC-ICSRJNTNSA-N
MW277.41 g/mol
LogP4.24
Rot. Bonds2

About (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline

(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline (PubChem CID 15751777) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline.

Molecular Properties

Compound Name(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
PubChem CID15751777
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
SMILESc1ccc(CN2CC[C@@H]3c4ccccc4CC[C@H]3C2)cc1
InChIInChI=1S/C20H23N/c1-2-6-16(7-3-1)14-21-13-12-20-18(15-21)11-10-17-8-4-5-9-19(17)20/h1-9,18,20H,10-15H2/t18-,20-/m0/s1
InChIKeyNQALPKAYZMMWEC-ICSRJNTNSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline with MolForge

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Related Compounds

(4aS,10bR)-3-prop-2-enyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 67942351
3-butyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 19093629
(3aR,9bR)-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 10261870
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(4aS,9aR)-2-benzyl-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
CID 14975313
(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
CID 124764153
(1R,6R)-3-benzyl-7-oxa-3-azabicyclo[4.2.0]octane
CID 71244864
(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
CID 844320
CID 58171508
CID 58171508
5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 83851213

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline?
The IUPAC name of (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline (CID 15751777) is (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline.
What is the SMILES notation for (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline?
The canonical SMILES for (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline is c1ccc(CN2CC[C@@H]3c4ccccc4CC[C@H]3C2)cc1.
What is the InChIKey of (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline?
The InChIKey is NQALPKAYZMMWEC-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H23N/c1-2-6-16(7-3-1)14-21-13-12-20-18(15-21)11-10-17-8-4-5-9-19(17)20/h1-9,18,20H,10-15H2/t18-,20-/m0/s1.
What are the key properties of (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline?
(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline has a molecular weight of 277.41 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline is sourced from PubChem (CID 15751777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).