2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate

C17H25NO3 — CID 142148722

IUPAC2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate
SMILESC=Cc1c(OC)cc2c(c1N)CCCC2.CCOC(C)=O
InChIInChI=1S/C13H17NO.C4H8O2/c1-3-10-12(15-2)8-9-6-4-5-7-11(9)13(10)14;1-3-6-4(2)5/h3,8H,1,4-7,14H2,2H3;3H2,1-2H3
InChIKeyNLYONHRYHNBIBJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.37
Rot. Bonds3

About 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate

2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate (PubChem CID 142148722) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate.

Molecular Properties

Compound Name2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate
PubChem CID142148722
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate
SMILESC=Cc1c(OC)cc2c(c1N)CCCC2.CCOC(C)=O
InChIInChI=1S/C13H17NO.C4H8O2/c1-3-10-12(15-2)8-9-6-4-5-7-11(9)13(10)14;1-3-6-4(2)5/h3,8H,1,4-7,14H2,2H3;3H2,1-2H3
InChIKeyNLYONHRYHNBIBJ-UHFFFAOYSA-N
XLogP3.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 154647698
5-Methoxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154647702
3-[(3-Fluoro-5-methylphenyl)methyl]-5-methoxy-2-methylaniline
CID 154647902
5-Methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 154997180
5-[4-(1,1-difluoroethyl)phenyl]-2-ethenyl-4-methyl-3-[(E)-2-methylbut-1-enoxy]aniline
CID 168905310
Ethane;2-ethenyl-4-methyl-3-prop-1-ynoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 168905325
2-Ethenyl-4-methyl-3-prop-1-ynoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 168905326
2-Ethenyl-3-methoxy-4-methyl-5-[4-(trifluoromethoxy)phenyl]aniline;propane
CID 168905559
6-Amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one
CID 102501424
Tetramethylamino xanthene
CID 129721084
[3-amino-2-[(1S)-cyclohexa-2,4-dien-1-yl]-6-methoxy-4,5-dimethylphenyl] acetate;carbon monoxide;iron
CID 135047931
5-Methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine
CID 138982305

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate?
The IUPAC name of 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate (CID 142148722) is 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate.
What is the SMILES notation for 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate?
The canonical SMILES for 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate is C=Cc1c(OC)cc2c(c1N)CCCC2.CCOC(C)=O.
What is the InChIKey of 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate?
The InChIKey is NLYONHRYHNBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C4H8O2/c1-3-10-12(15-2)8-9-6-4-5-7-11(9)13(10)14;1-3-6-4(2)5/h3,8H,1,4-7,14H2,2H3;3H2,1-2H3.
What are the key properties of 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate?
2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate has a molecular weight of 291.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;ethyl acetate is sourced from PubChem (CID 142148722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).