1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine

C22H21N3O — CID 69187241

IUPAC1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine
SMILESCOc1nccc(C(N)Cc2ccccc2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C22H21N3O/c1-26-22-21(20-14-16-9-5-6-10-19(16)25-20)17(11-12-24-22)18(23)13-15-7-3-2-4-8-15/h2-12,14,18,25H,13,23H2,1H3
InChIKeyBECMJDPWAIUUED-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.48
Rot. Bonds5

About 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine

1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine (PubChem CID 69187241) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine
PubChem CID69187241
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine
SMILESCOc1nccc(C(N)Cc2ccccc2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C22H21N3O/c1-26-22-21(20-14-16-9-5-6-10-19(16)25-20)17(11-12-24-22)18(23)13-15-7-3-2-4-8-15/h2-12,14,18,25H,13,23H2,1H3
InChIKeyBECMJDPWAIUUED-UHFFFAOYSA-N
XLogP4.48
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-2-yl)-2-methoxyquinoline
CID 86101824
2-(2-methoxy-5-methyl-3-pyridinyl)-1H-indole
CID 90290279
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61077725
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105101378
2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole
CID 11075144
4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole
CID 69186262
2-(2-benzylphenyl)-1H-indole
CID 23325485
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 113421578
2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105169346
(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 97288693
1-(1H-indol-2-yl)butan-2-amine
CID 54026892

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine?
The IUPAC name of 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine (CID 69187241) is 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine?
The canonical SMILES for 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine is COc1nccc(C(N)Cc2ccccc2)c1-c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine?
The InChIKey is BECMJDPWAIUUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-26-22-21(20-14-16-9-5-6-10-19(16)25-20)17(11-12-24-22)18(23)13-15-7-3-2-4-8-15/h2-12,14,18,25H,13,23H2,1H3.
What are the key properties of 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine?
1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine has a molecular weight of 343.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine is sourced from PubChem (CID 69187241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).