8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine

C18H21NO2 — CID 24865095

IUPAC8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
SMILESCOc1ccc2c(c1)CC(c1ccccc1)OCCN2C
InChIInChI=1S/C18H21NO2/c1-19-10-11-21-18(14-6-4-3-5-7-14)13-15-12-16(20-2)8-9-17(15)19/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyYUQHJXQCRWUXSV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds2

About 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine

8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine (PubChem CID 24865095) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine.

Molecular Properties

Compound Name8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
PubChem CID24865095
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
SMILESCOc1ccc2c(c1)CC(c1ccccc1)OCCN2C
InChIInChI=1S/C18H21NO2/c1-19-10-11-21-18(14-6-4-3-5-7-14)13-15-12-16(20-2)8-9-17(15)19/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyYUQHJXQCRWUXSV-UHFFFAOYSA-N
XLogP3.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxyphenyl)-1-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine-8-carbonitrile
CID 24865277
8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
CID 24865641
6-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833453
2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892761
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307
4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
CID 155814589
(2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 94722788
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 86216518

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The IUPAC name of 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine (CID 24865095) is 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine.
What is the SMILES notation for 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The canonical SMILES for 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine is COc1ccc2c(c1)CC(c1ccccc1)OCCN2C.
What is the InChIKey of 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The InChIKey is YUQHJXQCRWUXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-10-11-21-18(14-6-4-3-5-7-14)13-15-12-16(20-2)8-9-17(15)19/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine has a molecular weight of 283.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine is sourced from PubChem (CID 24865095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).