2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol

C18H19F3N2O — CID 109380215

IUPAC2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
SMILESCN1CCc2cc(CNC(CO)c3cc(F)c(F)c(F)c3)ccc21
InChIInChI=1S/C18H19F3N2O/c1-23-5-4-12-6-11(2-3-17(12)23)9-22-16(10-24)13-7-14(19)18(21)15(20)8-13/h2-3,6-8,16,22,24H,4-5,9-10H2,1H3
InChIKeyFRXKAYYAMQQQKN-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.92
Rot. Bonds5

About 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol

2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol (PubChem CID 109380215) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
PubChem CID109380215
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
SMILESCN1CCc2cc(CNC(CO)c3cc(F)c(F)c(F)c3)ccc21
InChIInChI=1S/C18H19F3N2O/c1-23-5-4-12-6-11(2-3-17(12)23)9-22-16(10-24)13-7-14(19)18(21)15(20)8-13/h2-3,6-8,16,22,24H,4-5,9-10H2,1H3
InChIKeyFRXKAYYAMQQQKN-UHFFFAOYSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
3-methoxy-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 114078771
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380212
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol?
The IUPAC name of 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol (CID 109380215) is 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol is CN1CCc2cc(CNC(CO)c3cc(F)c(F)c(F)c3)ccc21.
What is the InChIKey of 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol?
The InChIKey is FRXKAYYAMQQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-23-5-4-12-6-11(2-3-17(12)23)9-22-16(10-24)13-7-14(19)18(21)15(20)8-13/h2-3,6-8,16,22,24H,4-5,9-10H2,1H3.
What are the key properties of 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol?
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol has a molecular weight of 336.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 109380215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).