2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine

C19H19NO2 — CID 91599207

IUPAC2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine
SMILESCOc1cccc2c1C(C1=Nc3ccccc3CO1)CCC2
InChIInChI=1S/C19H19NO2/c1-21-17-11-5-8-13-7-4-9-15(18(13)17)19-20-16-10-3-2-6-14(16)12-22-19/h2-3,5-6,8,10-11,15H,4,7,9,12H2,1H3
InChIKeyHQWDZDNMBKMMCQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.38
Rot. Bonds2

About 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine

2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine (PubChem CID 91599207) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine
PubChem CID91599207
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine
SMILESCOc1cccc2c1C(C1=Nc3ccccc3CO1)CCC2
InChIInChI=1S/C19H19NO2/c1-21-17-11-5-8-13-7-4-9-15(18(13)17)19-20-16-10-3-2-6-14(16)12-22-19/h2-3,5-6,8,10-11,15H,4,7,9,12H2,1H3
InChIKeyHQWDZDNMBKMMCQ-UHFFFAOYSA-N
XLogP4.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 142637843
2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105476138
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 105458034
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
1-(bromomethyl)-9-methoxy-1,3,4,5-tetrahydro-2-benzoxepine
CID 20522970
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
(4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 58294423
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
8-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 112709110
1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
CID 57122881
1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 54031428
methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 12778765

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine?
The IUPAC name of 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine (CID 91599207) is 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine.
What is the SMILES notation for 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine?
The canonical SMILES for 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine is COc1cccc2c1C(C1=Nc3ccccc3CO1)CCC2.
What is the InChIKey of 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine?
The InChIKey is HQWDZDNMBKMMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-21-17-11-5-8-13-7-4-9-15(18(13)17)19-20-16-10-3-2-6-14(16)12-22-19/h2-3,5-6,8,10-11,15H,4,7,9,12H2,1H3.
What are the key properties of 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine?
2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine has a molecular weight of 293.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-3,1-benzoxazine is sourced from PubChem (CID 91599207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).