3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine

C22H24FN3 — CID 112539142

IUPAC3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESCCn1c(C)c(CC(CN)c2c[nH]c3ccc(F)cc23)c2ccccc21
InChIInChI=1S/C22H24FN3/c1-3-26-14(2)18(17-6-4-5-7-22(17)26)10-15(12-24)20-13-25-21-9-8-16(23)11-19(20)21/h4-9,11,13,15,25H,3,10,12,24H2,1-2H3
InChIKeyIOBFCVXYCZGOJM-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.88
Rot. Bonds5

About 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine

3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine (PubChem CID 112539142) has the molecular formula C22H24FN3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
PubChem CID112539142
Molecular FormulaC22H24FN3
Molecular Weight349.45 g/mol
Exact Mass349.20
IUPAC Name3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESCCn1c(C)c(CC(CN)c2c[nH]c3ccc(F)cc23)c2ccccc21
InChIInChI=1S/C22H24FN3/c1-3-26-14(2)18(17-6-4-5-7-22(17)26)10-15(12-24)20-13-25-21-9-8-16(23)11-19(20)21/h4-9,11,13,15,25H,3,10,12,24H2,1-2H3
InChIKeyIOBFCVXYCZGOJM-UHFFFAOYSA-N
XLogP4.88
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol
CID 83975448
3-(1-ethyl-2-methylindol-3-yl)-2-pyridin-2-ylpropan-1-amine
CID 83975876
4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
CID 83976530
3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972544
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 83987557
3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976328

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine (CID 112539142) is 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine is CCn1c(C)c(CC(CN)c2c[nH]c3ccc(F)cc23)c2ccccc21.
What is the InChIKey of 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The InChIKey is IOBFCVXYCZGOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3/c1-3-26-14(2)18(17-6-4-5-7-22(17)26)10-15(12-24)20-13-25-21-9-8-16(23)11-19(20)21/h4-9,11,13,15,25H,3,10,12,24H2,1-2H3.
What are the key properties of 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine has a molecular weight of 349.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 112539142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).