2-(diethylindiganylmethyl)-N,N-dimethylaniline

C13H22InN — CID 88506247

IUPAC2-(diethylindiganylmethyl)-N,N-dimethylaniline
SMILESCC[In](CC)Cc1ccccc1N(C)C
InChIInChI=1S/C9H12N.2C2H5.In/c1-8-6-4-5-7-9(8)10(2)3;2*1-2;/h4-7H,1H2,2-3H3;2*1H2,2H3;
InChIKeyKJVGSVLIEXVARE-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.37
Rot. Bonds5

About 2-(diethylindiganylmethyl)-N,N-dimethylaniline

2-(diethylindiganylmethyl)-N,N-dimethylaniline (PubChem CID 88506247) has the molecular formula C13H22InN and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-(diethylindiganylmethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(diethylindiganylmethyl)-N,N-dimethylaniline
PubChem CID88506247
Molecular FormulaC13H22InN
Molecular Weight307.14 g/mol
Exact Mass307.08
IUPAC Name2-(diethylindiganylmethyl)-N,N-dimethylaniline
SMILESCC[In](CC)Cc1ccccc1N(C)C
InChIInChI=1S/C9H12N.2C2H5.In/c1-8-6-4-5-7-9(8)10(2)3;2*1-2;/h4-7H,1H2,2-3H3;2*1H2,2H3;
InChIKeyKJVGSVLIEXVARE-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane
CID 19904950
2-heptyl-N,N-dimethylaniline
CID 69464807
2-(cyclopropylmethyl)-N,N-dimethylaniline
CID 90792914
N,N-dimethyl-2-nonadecylaniline;hydrochloride
CID 175204059
2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
2-dodecyl-N,N-dimethylaniline;hydrobromide
CID 175216326
N,N-dimethyl-2-octadecylaniline;hydrobromide
CID 175213757
N,N-dimethyl-2-(nitrosomethyl)aniline
CID 91088009
N-[[2-(dimethylamino)phenyl]methyl]hydroxylamine
CID 82597179
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline
CID 174458688
2-(dibutylalumanylmethyl)-N,N-dimethylaniline
CID 87741099
CID 71414612
CID 71414612

Frequently Asked Questions

What is the IUPAC name of 2-(diethylindiganylmethyl)-N,N-dimethylaniline?
The IUPAC name of 2-(diethylindiganylmethyl)-N,N-dimethylaniline (CID 88506247) is 2-(diethylindiganylmethyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(diethylindiganylmethyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(diethylindiganylmethyl)-N,N-dimethylaniline is CC[In](CC)Cc1ccccc1N(C)C.
What is the InChIKey of 2-(diethylindiganylmethyl)-N,N-dimethylaniline?
The InChIKey is KJVGSVLIEXVARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.2C2H5.In/c1-8-6-4-5-7-9(8)10(2)3;2*1-2;/h4-7H,1H2,2-3H3;2*1H2,2H3;.
What are the key properties of 2-(diethylindiganylmethyl)-N,N-dimethylaniline?
2-(diethylindiganylmethyl)-N,N-dimethylaniline has a molecular weight of 307.14 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylindiganylmethyl)-N,N-dimethylaniline is sourced from PubChem (CID 88506247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).