2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol

C19H20F2N2O — CID 177193504

IUPAC2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol
SMILESCc1cn(Cc2ccc(F)cc2)c2cc(F)cc(CNCCO)c12
InChIInChI=1S/C19H20F2N2O/c1-13-11-23(12-14-2-4-16(20)5-3-14)18-9-17(21)8-15(19(13)18)10-22-6-7-24/h2-5,8-9,11,22,24H,6-7,10,12H2,1H3
InChIKeyMZAGJTFILQVIIR-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.36
Rot. Bonds6

About 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol

2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol (PubChem CID 177193504) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol
PubChem CID177193504
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol
SMILESCc1cn(Cc2ccc(F)cc2)c2cc(F)cc(CNCCO)c12
InChIInChI=1S/C19H20F2N2O/c1-13-11-23(12-14-2-4-16(20)5-3-14)18-9-17(21)8-15(19(13)18)10-22-6-7-24/h2-5,8-9,11,22,24H,6-7,10,12H2,1H3
InChIKeyMZAGJTFILQVIIR-UHFFFAOYSA-N
XLogP3.36
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[6-fluoro-4-[(2-hydroxyethylamino)methyl]indol-1-yl]-1-(4-fluorophenyl)ethanone
CID 177193482
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
CID 50995818
2-[2-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 66537571
2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol
CID 96660011
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841

Frequently Asked Questions

What is the IUPAC name of 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol?
The IUPAC name of 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol (CID 177193504) is 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol?
The canonical SMILES for 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol is Cc1cn(Cc2ccc(F)cc2)c2cc(F)cc(CNCCO)c12.
What is the InChIKey of 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol?
The InChIKey is MZAGJTFILQVIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-13-11-23(12-14-2-4-16(20)5-3-14)18-9-17(21)8-15(19(13)18)10-22-6-7-24/h2-5,8-9,11,22,24H,6-7,10,12H2,1H3.
What are the key properties of 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol?
2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol has a molecular weight of 330.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindol-4-yl]methylamino]ethanol is sourced from PubChem (CID 177193504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).