2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine

C22H20FN3 — CID 151189030

IUPAC2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine
SMILESFc1cccc2c(CCNCc3cccc(-c4ccncc4)c3)c[nH]c12
InChIInChI=1S/C22H20FN3/c23-21-6-2-5-20-19(15-26-22(20)21)9-12-25-14-16-3-1-4-18(13-16)17-7-10-24-11-8-17/h1-8,10-11,13,15,25-26H,9,12,14H2
InChIKeyNFXNQYOFLFBZBR-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.70
Rot. Bonds6

About 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine

2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine (PubChem CID 151189030) has the molecular formula C22H20FN3 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine
PubChem CID151189030
Molecular FormulaC22H20FN3
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC Name2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine
SMILESFc1cccc2c(CCNCc3cccc(-c4ccncc4)c3)c[nH]c12
InChIInChI=1S/C22H20FN3/c23-21-6-2-5-20-19(15-26-22(20)21)9-12-25-14-16-3-1-4-18(13-16)17-7-10-24-11-8-17/h1-8,10-11,13,15,25-26H,9,12,14H2
InChIKeyNFXNQYOFLFBZBR-UHFFFAOYSA-N
XLogP4.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.70
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

N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 25142685
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
CID 150264043
N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine
CID 96672189
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82498246
3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide
CID 119128960
3-butyl-7-fluoro-1H-indole
CID 106985261
O-[2-(7-fluoro-1H-indol-3-yl)ethyl]hydroxylamine
CID 83484408
2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616
(1Z,3E)-3-[3-[[2-(6,7-difluoro-1H-indol-3-yl)ethylamino]methyl]phenoxy]hexa-1,3,5-trien-1-amine
CID 89318595
1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
CID 111478246
2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119128954
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine (CID 151189030) is 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine is Fc1cccc2c(CCNCc3cccc(-c4ccncc4)c3)c[nH]c12.
What is the InChIKey of 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine?
The InChIKey is NFXNQYOFLFBZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3/c23-21-6-2-5-20-19(15-26-22(20)21)9-12-25-14-16-3-1-4-18(13-16)17-7-10-24-11-8-17/h1-8,10-11,13,15,25-26H,9,12,14H2.
What are the key properties of 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine?
2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine has a molecular weight of 345.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 151189030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).