(2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine

C19H20ClFN2O — CID 67663344

IUPAC(2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine
SMILESCN(C)[C@@](C)(COc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O/c1-19(23(2)3,13-4-7-15(21)8-5-13)12-24-18-11-22-17-9-6-14(20)10-16(17)18/h4-11,22H,12H2,1-3H3/t19-/m0/s1
InChIKeyLSKPRIZORCQBKT-IBGZPJMESA-N
MW346.83 g/mol
LogP4.82
Rot. Bonds5

About (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine

(2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine (PubChem CID 67663344) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine
PubChem CID67663344
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name(2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine
SMILESCN(C)[C@@](C)(COc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O/c1-19(23(2)3,13-4-7-15(21)8-5-13)12-24-18-11-22-17-9-6-14(20)10-16(17)18/h4-11,22H,12H2,1-3H3/t19-/m0/s1
InChIKeyLSKPRIZORCQBKT-IBGZPJMESA-N
XLogP4.82
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine (CID 67663344) is (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine is CN(C)[C@@](C)(COc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine?
The InChIKey is LSKPRIZORCQBKT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-19(23(2)3,13-4-7-15(21)8-5-13)12-24-18-11-22-17-9-6-14(20)10-16(17)18/h4-11,22H,12H2,1-3H3/t19-/m0/s1.
What are the key properties of (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine?
(2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine has a molecular weight of 346.83 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-chloro-1H-indol-3-yl)oxy]-2-(4-fluorophenyl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 67663344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).