N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine

C13H17F3N2 — CID 102661702

IUPACN-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2CC(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-9(17-2)10-3-4-12-11(7-10)5-6-18(12)8-13(14,15)16/h3-4,7,9,17H,5-6,8H2,1-2H3
InChIKeyIARHBNDOHOKLRJ-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.89
Rot. Bonds3

About N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine

N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661702) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661702
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2CC(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-9(17-2)10-3-4-12-11(7-10)5-6-18(12)8-13(14,15)16/h3-4,7,9,17H,5-6,8H2,1-2H3
InChIKeyIARHBNDOHOKLRJ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.89
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

1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661621
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661638
N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
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
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646
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-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661728
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 N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine (CID 102661702) is N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine is CNC(C)c1ccc2c(c1)CCN2CC(F)(F)F.
What is the InChIKey of N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is IARHBNDOHOKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9(17-2)10-3-4-12-11(7-10)5-6-18(12)8-13(14,15)16/h3-4,7,9,17H,5-6,8H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine?
N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 258.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).