N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine

C22H19F2N3O — CID 10158808

IUPACN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine
SMILESFc1ccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c(F)c1
InChIInChI=1S/C22H19F2N3O/c23-18-4-5-19(20(24)11-18)17-10-15(13-26-14-17)12-25-8-9-28-21-3-1-2-16-6-7-27-22(16)21/h1-7,10-11,13-14,25,27H,8-9,12H2
InChIKeyCLOVXOVXLAVMEW-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.68
Rot. Bonds7

About N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine

N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine (PubChem CID 10158808) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine
PubChem CID10158808
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine
SMILESFc1ccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c(F)c1
InChIInChI=1S/C22H19F2N3O/c23-18-4-5-19(20(24)11-18)17-10-15(13-26-14-17)12-25-8-9-28-21-3-1-2-16-6-7-27-22(16)21/h1-7,10-11,13-14,25,27H,8-9,12H2
InChIKeyCLOVXOVXLAVMEW-UHFFFAOYSA-N
XLogP4.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine with MolForge

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Related Compounds

Idalopirdine
CID 21071390
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-(Benzyloxy)tryptamine
CID 89576
5-Benzyloxyindole
CID 14624
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
N-Acetyl-5-benzyloxytryptamine
CID 563605
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-ethynylpyridin-3-yl}isoquinoline
CID 23647573
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
5-(Nonyloxy)tryptamine
CID 1797
8-Methoxy-4,9-dihydro-3H-beta-carboline
CID 14355089

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine (CID 10158808) is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine is Fc1ccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c(F)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine?
The InChIKey is CLOVXOVXLAVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c23-18-4-5-19(20(24)11-18)17-10-15(13-26-14-17)12-25-8-9-28-21-3-1-2-16-6-7-27-22(16)21/h1-7,10-11,13-14,25,27H,8-9,12H2.
What are the key properties of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine?
N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine has a molecular weight of 379.41 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine is sourced from PubChem (CID 10158808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).