N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine

C26H28N2O2 — CID 22391610

IUPACN-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(OC)c(-c3ccc4ccn(C)c4c3)c2)c1
InChIInChI=1S/C26H28N2O2/c1-18(21-6-5-7-23(15-21)29-3)27-17-19-8-11-26(30-4)24(14-19)22-10-9-20-12-13-28(2)25(20)16-22/h5-16,18,27H,17H2,1-4H3
InChIKeyIPRYNHOAPVETKX-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.71
Rot. Bonds7

About N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine

N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 22391610) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID22391610
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(OC)c(-c3ccc4ccn(C)c4c3)c2)c1
InChIInChI=1S/C26H28N2O2/c1-18(21-6-5-7-23(15-21)29-3)27-17-19-8-11-26(30-4)24(14-19)22-10-9-20-12-13-28(2)25(20)16-22/h5-16,18,27H,17H2,1-4H3
InChIKeyIPRYNHOAPVETKX-UHFFFAOYSA-N
XLogP5.71
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine (CID 22391610) is N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2ccc(OC)c(-c3ccc4ccn(C)c4c3)c2)c1.
What is the InChIKey of N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is IPRYNHOAPVETKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-18(21-6-5-7-23(15-21)29-3)27-17-19-8-11-26(30-4)24(14-19)22-10-9-20-12-13-28(2)25(20)16-22/h5-16,18,27H,17H2,1-4H3.
What are the key properties of N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 400.52 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(1-methylindol-6-yl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 22391610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).