2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile

C14H17N3O — CID 20806577

IUPAC2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile
SMILESCC(C)(N)Cc1c[nH]c2ccc(OCC#N)cc12
InChIInChI=1S/C14H17N3O/c1-14(2,16)8-10-9-17-13-4-3-11(7-12(10)13)18-6-5-15/h3-4,7,9,17H,6,8,16H2,1-2H3
InChIKeyZPLRFLSDCYRJSR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.35
Rot. Bonds4

About 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile

2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile (PubChem CID 20806577) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile
PubChem CID20806577
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile
SMILESCC(C)(N)Cc1c[nH]c2ccc(OCC#N)cc12
InChIInChI=1S/C14H17N3O/c1-14(2,16)8-10-9-17-13-4-3-11(7-12(10)13)18-6-5-15/h3-4,7,9,17H,6,8,16H2,1-2H3
InChIKeyZPLRFLSDCYRJSR-UHFFFAOYSA-N
XLogP2.35
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 20806603
2-[5-(3-propan-2-ylsulfonylpropoxy)-1H-indol-3-yl]acetonitrile
CID 154784244
1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 98010705
1-(6-chloro-5-methyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 96594113
methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
CID 58843105
diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
2-(5-propoxy-1H-indol-3-yl)acetaldehyde
CID 144631653
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
[3-(4-chlorobutyl)-1H-indol-5-yl] cyanate
CID 174658653

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile?
The IUPAC name of 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile (CID 20806577) is 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile is CC(C)(N)Cc1c[nH]c2ccc(OCC#N)cc12.
What is the InChIKey of 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile?
The InChIKey is ZPLRFLSDCYRJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,16)8-10-9-17-13-4-3-11(7-12(10)13)18-6-5-15/h3-4,7,9,17H,6,8,16H2,1-2H3.
What are the key properties of 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile?
2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile is sourced from PubChem (CID 20806577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).