(2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

C22H20FN3O — CID 10193747

IUPAC(2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H20FN3O/c23-18-7-5-15(6-8-18)16-10-20(13-25-11-16)27-14-19(24)9-17-12-26-22-4-2-1-3-21(17)22/h1-8,10-13,19,26H,9,14,24H2/t19-/m0/s1
InChIKeyVUDAXHCEPITOSW-IBGZPJMESA-N
MW361.42 g/mol
LogP4.32
Rot. Bonds6

About (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

(2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 10193747) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
PubChem CID10193747
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name(2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H20FN3O/c23-18-7-5-15(6-8-18)16-10-20(13-25-11-16)27-14-19(24)9-17-12-26-22-4-2-1-3-21(17)22/h1-8,10-13,19,26H,9,14,24H2/t19-/m0/s1
InChIKeyVUDAXHCEPITOSW-IBGZPJMESA-N
XLogP4.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 10193747) is (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is N[C@H](COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is VUDAXHCEPITOSW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20FN3O/c23-18-7-5-15(6-8-18)16-10-20(13-25-11-16)27-14-19(24)9-17-12-26-22-4-2-1-3-21(17)22/h1-8,10-13,19,26H,9,14,24H2/t19-/m0/s1.
What are the key properties of (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
(2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 361.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 10193747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).