N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine

C23H28N2O — CID 166138190

IUPACN,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine
SMILESC=CCc1ccc(OCc2ccccc2)c2c(CCN(C)C)cn(C)c12
InChIInChI=1S/C23H28N2O/c1-5-9-19-12-13-21(26-17-18-10-7-6-8-11-18)22-20(14-15-24(2)3)16-25(4)23(19)22/h5-8,10-13,16H,1,9,14-15,17H2,2-4H3
InChIKeyFLRCSMGZJMETRO-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.59
Rot. Bonds8

About N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine

N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine (PubChem CID 166138190) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine
PubChem CID166138190
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine
SMILESC=CCc1ccc(OCc2ccccc2)c2c(CCN(C)C)cn(C)c12
InChIInChI=1S/C23H28N2O/c1-5-9-19-12-13-21(26-17-18-10-7-6-8-11-18)22-20(14-15-24(2)3)16-25(4)23(19)22/h5-8,10-13,16H,1,9,14-15,17H2,2-4H3
InChIKeyFLRCSMGZJMETRO-UHFFFAOYSA-N
XLogP4.59
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine (CID 166138190) is N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine is C=CCc1ccc(OCc2ccccc2)c2c(CCN(C)C)cn(C)c12.
What is the InChIKey of N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine?
The InChIKey is FLRCSMGZJMETRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-5-9-19-12-13-21(26-17-18-10-7-6-8-11-18)22-20(14-15-24(2)3)16-25(4)23(19)22/h5-8,10-13,16H,1,9,14-15,17H2,2-4H3.
What are the key properties of N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine?
N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine has a molecular weight of 348.49 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine is sourced from PubChem (CID 166138190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).