1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine

C14H18N2O — CID 170132242

IUPAC1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine
SMILESC=C(N)c1c(C)c2c(OC)ccc(C)c2n1C
InChIInChI=1S/C14H18N2O/c1-8-6-7-11(17-5)12-9(2)14(10(3)15)16(4)13(8)12/h6-7H,3,15H2,1-2,4-5H3
InChIKeyGDIXTBJWNBZYGS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.73
Rot. Bonds2

About 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine

1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine (PubChem CID 170132242) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine.

Molecular Properties

Compound Name1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine
PubChem CID170132242
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine
SMILESC=C(N)c1c(C)c2c(OC)ccc(C)c2n1C
InChIInChI=1S/C14H18N2O/c1-8-6-7-11(17-5)12-9(2)14(10(3)15)16(4)13(8)12/h6-7H,3,15H2,1-2,4-5H3
InChIKeyGDIXTBJWNBZYGS-UHFFFAOYSA-N
XLogP2.73
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine?
The IUPAC name of 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine (CID 170132242) is 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine.
What is the SMILES notation for 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine?
The canonical SMILES for 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine is C=C(N)c1c(C)c2c(OC)ccc(C)c2n1C.
What is the InChIKey of 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine?
The InChIKey is GDIXTBJWNBZYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-6-7-11(17-5)12-9(2)14(10(3)15)16(4)13(8)12/h6-7H,3,15H2,1-2,4-5H3.
What are the key properties of 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine?
1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine has a molecular weight of 230.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1,3,7-trimethylindol-2-yl)ethenamine is sourced from PubChem (CID 170132242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).