N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine

C16H26N2O — CID 80577137

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(CCC1CNc2ccccc21)C(C)COC
InChIInChI=1S/C16H26N2O/c1-4-18(13(2)12-19-3)10-9-14-11-17-16-8-6-5-7-15(14)16/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyXXKZKQOFFDOXDW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine (PubChem CID 80577137) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine
PubChem CID80577137
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(CCC1CNc2ccccc21)C(C)COC
InChIInChI=1S/C16H26N2O/c1-4-18(13(2)12-19-3)10-9-14-11-17-16-8-6-5-7-15(14)16/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyXXKZKQOFFDOXDW-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82951861
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 80577188
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-ethylethanamine
CID 80577124
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine
CID 80577083
N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 80566812
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 80572799
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-1-methoxypropan-2-amine
CID 79315742
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82739817
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
CID 80566591
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine (CID 80577137) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine is CCN(CCC1CNc2ccccc21)C(C)COC.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is XXKZKQOFFDOXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(13(2)12-19-3)10-9-14-11-17-16-8-6-5-7-15(14)16/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 80577137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).