(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride

C14H20ClN — CID 45260521

IUPAC(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
SMILESCN1CC[C@H]2c3ccccc3CC[C@H]2C1.Cl
InChIInChI=1S/C14H19N.ClH/c1-15-9-8-14-12(10-15)7-6-11-4-2-3-5-13(11)14;/h2-5,12,14H,6-10H2,1H3;1H/t12-,14+;/m0./s1
InChIKeyLEFUFQVBGCZVEF-DSHXVJGRSA-N
MW237.77 g/mol
LogP3.09
Rot. Bonds

About (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride

(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride (PubChem CID 45260521) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride.

Molecular Properties

Compound Name(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
PubChem CID45260521
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
SMILESCN1CC[C@H]2c3ccccc3CC[C@H]2C1.Cl
InChIInChI=1S/C14H19N.ClH/c1-15-9-8-14-12(10-15)7-6-11-4-2-3-5-13(11)14;/h2-5,12,14H,6-10H2,1H3;1H/t12-,14+;/m0./s1
InChIKeyLEFUFQVBGCZVEF-DSHXVJGRSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

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CID 10261870
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CID 19093629
(2R,7S)-4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 86736419
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 15751777
(2aS,8bR)-1-methyl-2a,3,4,8b-tetrahydro-2H-naphtho[1,2-b]azete
CID 165353266
(4aS,10bR)-3-prop-2-enyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 67942351
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
5-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67824491
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
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Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride?
The IUPAC name of (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride (CID 45260521) is (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride.
What is the SMILES notation for (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride?
The canonical SMILES for (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride is CN1CC[C@H]2c3ccccc3CC[C@H]2C1.Cl.
What is the InChIKey of (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride?
The InChIKey is LEFUFQVBGCZVEF-DSHXVJGRSA-N. The full InChI is InChI=1S/C14H19N.ClH/c1-15-9-8-14-12(10-15)7-6-11-4-2-3-5-13(11)14;/h2-5,12,14H,6-10H2,1H3;1H/t12-,14+;/m0./s1.
What are the key properties of (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride?
(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride is sourced from PubChem (CID 45260521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).