3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

C24H32N2O — CID 90907704

IUPAC3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESCCCCC1CN2CCc3cc(OCc4ccccc4)ccc3C2CC1N
InChIInChI=1S/C24H32N2O/c1-2-3-9-20-16-26-13-12-19-14-21(27-17-18-7-5-4-6-8-18)10-11-22(19)24(26)15-23(20)25/h4-8,10-11,14,20,23-24H,2-3,9,12-13,15-17,25H2,1H3
InChIKeyOIWZQTDZWISTHM-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.70
Rot. Bonds6

About 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (PubChem CID 90907704) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.

Molecular Properties

Compound Name3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
PubChem CID90907704
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESCCCCC1CN2CCc3cc(OCc4ccccc4)ccc3C2CC1N
InChIInChI=1S/C24H32N2O/c1-2-3-9-20-16-26-13-12-19-14-21(27-17-18-7-5-4-6-8-18)10-11-22(19)24(26)15-23(20)25/h4-8,10-11,14,20,23-24H,2-3,9,12-13,15-17,25H2,1H3
InChIKeyOIWZQTDZWISTHM-UHFFFAOYSA-N
XLogP4.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine with MolForge

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Related Compounds

(8aR,12aS,13aR)-3-hexoxy-N-(2-phenylethyl)-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine-12-carboxamide
CID 18636304
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
(8aS,12aR,13aR)-3-hexoxy-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 56979048
1-[(1S)-2-acetyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
CID 71052926
3-(3-phenoxypropyl)-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 52949731
(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[(6-phenylmethoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135489253
N-benzyl-2-(5-hydroxy-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanamide
CID 90765663
benzyl 1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71079843
3-(3-ethylphenyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 72802310
(13aR)-11-methoxy-2,3-dimethyl-10-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 118477573
tert-butyl 1-acetyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 22888481
1-hydroxy-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19841196

Frequently Asked Questions

What is the IUPAC name of 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The IUPAC name of 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (CID 90907704) is 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.
What is the SMILES notation for 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The canonical SMILES for 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is CCCCC1CN2CCc3cc(OCc4ccccc4)ccc3C2CC1N.
What is the InChIKey of 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The InChIKey is OIWZQTDZWISTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-2-3-9-20-16-26-13-12-19-14-21(27-17-18-7-5-4-6-8-18)10-11-22(19)24(26)15-23(20)25/h4-8,10-11,14,20,23-24H,2-3,9,12-13,15-17,25H2,1H3.
What are the key properties of 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine has a molecular weight of 364.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-9-phenylmethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is sourced from PubChem (CID 90907704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).