2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen

C16H30N2O2 — CID 169244307

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen
SMILESC=C.COc1cc2c(cc1OC)C(CCN(C)C)CN2.[H][H].[H][H]
InChIInChI=1S/C14H22N2O2.C2H4.2H2/c1-16(2)6-5-10-9-15-12-8-14(18-4)13(17-3)7-11(10)12;1-2;;/h7-8,10,15H,5-6,9H2,1-4H3;1-2H2;2*1H
InChIKeyJWBNFOFKLHGXAB-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.46
Rot. Bonds5

About 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen

2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen (PubChem CID 169244307) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen
PubChem CID169244307
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen
SMILESC=C.COc1cc2c(cc1OC)C(CCN(C)C)CN2.[H][H].[H][H]
InChIInChI=1S/C14H22N2O2.C2H4.2H2/c1-16(2)6-5-10-9-15-12-8-14(18-4)13(17-3)7-11(10)12;1-2;;/h7-8,10,15H,5-6,9H2,1-4H3;1-2H2;2*1H
InChIKeyJWBNFOFKLHGXAB-UHFFFAOYSA-N
XLogP3.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 166138549
4-[2-(dimethylamino)ethyl]-6,7-dimethoxy-3,4-dihydro-2H-isoquinoline-1-thione
CID 21445505
2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen
CID 166138415
N,N-dimethyl-2-[(3R)-5-propan-2-yl-2,3-dihydro-1H-indol-3-yl]ethanamine
CID 169244288
4-[2-[di(propan-2-yl)amino]ethyl]-6,7-dimethoxy-3,4-dihydro-2H-isoquinoline-1-thione
CID 21445571
N,N-dimethyl-2-(5-pyridin-3-yl-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 169244304
7,8-dimethoxy-3-propyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 83002643
N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
CID 11737271
(3R,4R)-3-(aminomethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 99981473
6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 10014349
7,8-dimethoxy-3-(2-methylpropyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 83008216
N,N-dimethyl-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 169244277

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen (CID 169244307) is 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen is C=C.COc1cc2c(cc1OC)C(CCN(C)C)CN2.[H][H].[H][H].
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen?
The InChIKey is JWBNFOFKLHGXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C2H4.2H2/c1-16(2)6-5-10-9-15-12-8-14(18-4)13(17-3)7-11(10)12;1-2;;/h7-8,10,15H,5-6,9H2,1-4H3;1-2H2;2*1H.
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen?
2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen has a molecular weight of 282.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen is sourced from PubChem (CID 169244307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).