5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride

C20H21ClF3NO — CID 68832293

IUPAC5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride
SMILESCc1c(OC(c2cccc(C(F)(F)F)c2)C2CC2)ccc2c1CCN2.Cl
InChIInChI=1S/C20H20F3NO.ClH/c1-12-16-9-10-24-17(16)7-8-18(12)25-19(13-5-6-13)14-3-2-4-15(11-14)20(21,22)23;/h2-4,7-8,11,13,19,24H,5-6,9-10H2,1H3;1H
InChIKeyOZZLCFWBSFFVET-UHFFFAOYSA-N
MW383.84 g/mol
LogP5.93
Rot. Bonds4

About 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride

5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 68832293) has the molecular formula C20H21ClF3NO and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride
PubChem CID68832293
Molecular FormulaC20H21ClF3NO
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride
SMILESCc1c(OC(c2cccc(C(F)(F)F)c2)C2CC2)ccc2c1CCN2.Cl
InChIInChI=1S/C20H20F3NO.ClH/c1-12-16-9-10-24-17(16)7-8-18(12)25-19(13-5-6-13)14-3-2-4-15(11-14)20(21,22)23;/h2-4,7-8,11,13,19,24H,5-6,9-10H2,1H3;1H
InChIKeyOZZLCFWBSFFVET-UHFFFAOYSA-N
XLogP5.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.84
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 68832414
5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole
CID 58020718
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289
2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine
CID 105492174
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 68931957
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
1-[(S)-cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179871
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624126

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride (CID 68832293) is 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride is Cc1c(OC(c2cccc(C(F)(F)F)c2)C2CC2)ccc2c1CCN2.Cl.
What is the InChIKey of 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is OZZLCFWBSFFVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO.ClH/c1-12-16-9-10-24-17(16)7-8-18(12)25-19(13-5-6-13)14-3-2-4-15(11-14)20(21,22)23;/h2-4,7-8,11,13,19,24H,5-6,9-10H2,1H3;1H.
What are the key properties of 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride?
5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 383.84 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-[3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 68832293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).