ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline

C16H25NO — CID 144821070

IUPACethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline
SMILESC=C.CCN1CCc2cc(OC(C)C)ccc2C1
InChIInChI=1S/C14H21NO.C2H4/c1-4-15-8-7-12-9-14(16-11(2)3)6-5-13(12)10-15;1-2/h5-6,9,11H,4,7-8,10H2,1-3H3;1-2H2
InChIKeyVNOUMDIOHUNLKO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.65
Rot. Bonds3

About ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline

ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline (PubChem CID 144821070) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Nameethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline
PubChem CID144821070
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline
SMILESC=C.CCN1CCc2cc(OC(C)C)ccc2C1
InChIInChI=1S/C14H21NO.C2H4/c1-4-15-8-7-12-9-14(16-11(2)3)6-5-13(12)10-15;1-2/h5-6,9,11H,4,7-8,10H2,1-3H3;1-2H2
InChIKeyVNOUMDIOHUNLKO-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline
CID 87982262
2-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)acetic acid
CID 84786847
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
2-butyl-3,4-dihydro-1H-isoquinoline;ethyl-methylidene-oxo-(4-propan-2-yloxyphenyl)-λ6-sulfane
CID 143182434
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine
CID 84784940
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-propan-2-yloxybenzenesulfonamide
CID 21092272
5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
CID 20685087
3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile
CID 84783563
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535

Frequently Asked Questions

What is the IUPAC name of ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline (CID 144821070) is ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline is C=C.CCN1CCc2cc(OC(C)C)ccc2C1.
What is the InChIKey of ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is VNOUMDIOHUNLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C2H4/c1-4-15-8-7-12-9-14(16-11(2)3)6-5-13(12)10-15;1-2/h5-6,9,11H,4,7-8,10H2,1-3H3;1-2H2.
What are the key properties of ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline?
ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 247.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 144821070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).