2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine

C22H21N3 — CID 150264043

IUPAC2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
SMILESc1cncc(-c2cccc(CNCCc3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C22H21N3/c1-2-9-22-21(8-1)20(16-25-22)10-12-24-14-17-5-3-6-18(13-17)19-7-4-11-23-15-19/h1-9,11,13,15-16,24-25H,10,12,14H2
InChIKeyGCDURBGOZOAJME-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.56
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine

2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine (PubChem CID 150264043) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
PubChem CID150264043
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
SMILESc1cncc(-c2cccc(CNCCc3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C22H21N3/c1-2-9-22-21(8-1)20(16-25-22)10-12-24-14-17-5-3-6-18(13-17)19-7-4-11-23-15-19/h1-9,11,13,15-16,24-25H,10,12,14H2
InChIKeyGCDURBGOZOAJME-UHFFFAOYSA-N
XLogP4.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide
CID 141103412
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine
CID 151189030
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine (CID 150264043) is 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine is c1cncc(-c2cccc(CNCCc3c[nH]c4ccccc34)c2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine?
The InChIKey is GCDURBGOZOAJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-2-9-22-21(8-1)20(16-25-22)10-12-24-14-17-5-3-6-18(13-17)19-7-4-11-23-15-19/h1-9,11,13,15-16,24-25H,10,12,14H2.
What are the key properties of 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine?
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine has a molecular weight of 327.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 150264043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).