N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine

C18H28N2O — CID 59906439

IUPACN-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[C@H](COC(C)(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C18H28N2O/c1-17(2,3)20-16(12-21-18(4,5)6)14-11-19-15-10-8-7-9-13(14)15/h7-11,16,19-20H,12H2,1-6H3/t16-/m1/s1
InChIKeyHMMFHZBWABOZDI-MRXNPFEDSA-N
MW288.44 g/mol
LogP4.41
Rot. Bonds4

About N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine

N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine (PubChem CID 59906439) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine
PubChem CID59906439
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[C@H](COC(C)(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C18H28N2O/c1-17(2,3)20-16(12-21-18(4,5)6)14-11-19-15-10-8-7-9-13(14)15/h7-11,16,19-20H,12H2,1-6H3/t16-/m1/s1
InChIKeyHMMFHZBWABOZDI-MRXNPFEDSA-N
XLogP4.41
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 112743020
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
CID 102157867
2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
3-propan-2-yl-1H-indole
CID 12534824
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
CID 90025073
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
3-[chloro(methoxy)methyl]-1H-indole
CID 67187607

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine (CID 59906439) is N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine is CC(C)(C)N[C@H](COC(C)(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is HMMFHZBWABOZDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2,3)20-16(12-21-18(4,5)6)14-11-19-15-10-8-7-9-13(14)15/h7-11,16,19-20H,12H2,1-6H3/t16-/m1/s1.
What are the key properties of N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine?
N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59906439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).