N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine

C15H22N2O — CID 131852240

IUPACN,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
SMILESCC(C)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C15H22N2O/c1-11(2)18-14-7-5-6-13-15(14)12(10-16-13)8-9-17(3)4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyCSGVLVQQBKUXQB-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.06
Rot. Bonds5

About N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine

N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine (PubChem CID 131852240) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
PubChem CID131852240
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
SMILESCC(C)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C15H22N2O/c1-11(2)18-14-7-5-6-13-15(14)12(10-16-13)8-9-17(3)4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyCSGVLVQQBKUXQB-UHFFFAOYSA-N
XLogP3.06
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethylphosphonic acid
CID 156821130
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate
CID 176589120
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate
CID 176589084
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl ethyl carbonate
CID 176589116
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] N-amino-N-propan-2-ylsulfanylcarbamate
CID 167476910
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3,3,4,4-tetradeuterio-4-(dimethylamino)-2-methylbutanoate
CID 176651508
2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile
CID 115563251
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl oxetan-3-yl carbonate
CID 176589010
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4,4-dimethylpentanoate
CID 167476981

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine (CID 131852240) is N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine is CC(C)Oc1cccc2[nH]cc(CCN(C)C)c12.
What is the InChIKey of N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine?
The InChIKey is CSGVLVQQBKUXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)18-14-7-5-6-13-15(14)12(10-16-13)8-9-17(3)4/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine?
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 131852240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).