1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine

C17H28N2 — CID 102661621

IUPAC1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
SMILESCCC(CC)CN1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C17H28N2/c1-5-14(6-2)12-19-10-9-16-11-15(13(3)18-4)7-8-17(16)19/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3
InChIKeyYUHCLIFCJQHBOZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.77
Rot. Bonds6

About 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine

1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine (PubChem CID 102661621) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
PubChem CID102661621
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
SMILESCCC(CC)CN1CCc2cc(C(C)NC)ccc21
InChIInChI=1S/C17H28N2/c1-5-14(6-2)12-19-10-9-16-11-15(13(3)18-4)7-8-17(16)19/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3
InChIKeyYUHCLIFCJQHBOZ-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661702
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661638
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661662
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646
N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661728
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661692
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040766
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102880182
N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661667

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine (CID 102661621) is 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine is CCC(CC)CN1CCc2cc(C(C)NC)ccc21.
What is the InChIKey of 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine?
The InChIKey is YUHCLIFCJQHBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-14(6-2)12-19-10-9-16-11-15(13(3)18-4)7-8-17(16)19/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine?
1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine is sourced from PubChem (CID 102661621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).