(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol

C24H23FN2O — CID 124785545

IUPAC(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol
SMILESO[C@@H](CNCc1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H23FN2O/c25-22-12-6-4-10-19(22)16-27-17-20(21-11-5-7-13-23(21)27)14-26-15-24(28)18-8-2-1-3-9-18/h1-13,17,24,26,28H,14-16H2/t24-/m0/s1
InChIKeyCMAFHWZCOQEXCF-DEOSSOPVSA-N
MW374.46 g/mol
LogP4.65
Rot. Bonds7

About (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol

(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol (PubChem CID 124785545) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol
PubChem CID124785545
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol
SMILESO[C@@H](CNCc1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H23FN2O/c25-22-12-6-4-10-19(22)16-27-17-20(21-11-5-7-13-23(21)27)14-26-15-24(28)18-8-2-1-3-9-18/h1-13,17,24,26,28H,14-16H2/t24-/m0/s1
InChIKeyCMAFHWZCOQEXCF-DEOSSOPVSA-N
XLogP4.65
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
(2S)-N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823609
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11690985
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124782017
4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile
CID 60899902
1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
CID 103792326
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 20899970

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol (CID 124785545) is (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol is O[C@@H](CNCc1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1.
What is the InChIKey of (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol?
The InChIKey is CMAFHWZCOQEXCF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-22-12-6-4-10-19(22)16-27-17-20(21-11-5-7-13-23(21)27)14-26-15-24(28)18-8-2-1-3-9-18/h1-13,17,24,26,28H,14-16H2/t24-/m0/s1.
What are the key properties of (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol?
(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol has a molecular weight of 374.46 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol is sourced from PubChem (CID 124785545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).