N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine

C25H26N2O — CID 127031897

IUPACN-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESCN(CCc1cn(C)c2ccccc12)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H26N2O/c1-26(17-16-21-19-27(2)25-11-7-6-10-24(21)25)18-20-12-14-23(15-13-20)28-22-8-4-3-5-9-22/h3-15,19H,16-18H2,1-2H3
InChIKeyXPQXULVNJPNTCK-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.65
Rot. Bonds7

About N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine

N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine (PubChem CID 127031897) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine
PubChem CID127031897
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESCN(CCc1cn(C)c2ccccc12)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H26N2O/c1-26(17-16-21-19-27(2)25-11-7-6-10-24(21)25)18-20-12-14-23(15-13-20)28-22-8-4-3-5-9-22/h3-15,19H,16-18H2,1-2H3
InChIKeyXPQXULVNJPNTCK-UHFFFAOYSA-N
XLogP5.65
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine (CID 127031897) is N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine is CN(CCc1cn(C)c2ccccc12)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The InChIKey is XPQXULVNJPNTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-26(17-16-21-19-27(2)25-11-7-6-10-24(21)25)18-20-12-14-23(15-13-20)28-22-8-4-3-5-9-22/h3-15,19H,16-18H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine has a molecular weight of 370.50 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylindol-3-yl)-N-[(4-phenoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 127031897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).