2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline

C19H23N2O2P — CID 167890692

IUPAC2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
SMILESCOc1ccc2[nH]cc(CCNc3ccccc3P(C)(C)=O)c2c1
InChIInChI=1S/C19H23N2O2P/c1-23-15-8-9-17-16(12-15)14(13-21-17)10-11-20-18-6-4-5-7-19(18)24(2,3)22/h4-9,12-13,20-21H,10-11H2,1-3H3
InChIKeyUNWFFIFFEZOVPV-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.08
Rot. Bonds6

About 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline

2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline (PubChem CID 167890692) has the molecular formula C19H23N2O2P and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
PubChem CID167890692
Molecular FormulaC19H23N2O2P
Molecular Weight342.38 g/mol
Exact Mass342.15
IUPAC Name2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
SMILESCOc1ccc2[nH]cc(CCNc3ccccc3P(C)(C)=O)c2c1
InChIInChI=1S/C19H23N2O2P/c1-23-15-8-9-17-16(12-15)14(13-21-17)10-11-20-18-6-4-5-7-19(18)24(2,3)22/h4-9,12-13,20-21H,10-11H2,1-3H3
InChIKeyUNWFFIFFEZOVPV-UHFFFAOYSA-N
XLogP4.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
2-bromo-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitroaniline
CID 24850653
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 24850006
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-nitrobenzamide
CID 17271715
N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
CID 110432899

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline?
The IUPAC name of 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline (CID 167890692) is 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline?
The canonical SMILES for 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline is COc1ccc2[nH]cc(CCNc3ccccc3P(C)(C)=O)c2c1.
What is the InChIKey of 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline?
The InChIKey is UNWFFIFFEZOVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O2P/c1-23-15-8-9-17-16(12-15)14(13-21-17)10-11-20-18-6-4-5-7-19(18)24(2,3)22/h4-9,12-13,20-21H,10-11H2,1-3H3.
What are the key properties of 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline?
2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline has a molecular weight of 342.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline is sourced from PubChem (CID 167890692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).