N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine

C13H17FN2 — CID 96672189

IUPACN-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine
SMILESCCNCCCc1c[nH]c2c(F)cccc12
InChIInChI=1S/C13H17FN2/c1-2-15-8-4-5-10-9-16-13-11(10)6-3-7-12(13)14/h3,6-7,9,15-16H,2,4-5,8H2,1H3
InChIKeyGBBZSJDKDDHJCX-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.85
Rot. Bonds5

About N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine

N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine (PubChem CID 96672189) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine
PubChem CID96672189
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine
SMILESCCNCCCc1c[nH]c2c(F)cccc12
InChIInChI=1S/C13H17FN2/c1-2-15-8-4-5-10-9-16-13-11(10)6-3-7-12(13)14/h3,6-7,9,15-16H,2,4-5,8H2,1H3
InChIKeyGBBZSJDKDDHJCX-UHFFFAOYSA-N
XLogP2.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-7-fluoro-1H-indole
CID 106985261
O-[2-(7-fluoro-1H-indol-3-yl)ethyl]hydroxylamine
CID 83484408
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82498246
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117197609
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67394638
N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
CID 65306558
2-(7-fluoro-1H-indol-3-yl)-N-[(3-pyridin-4-ylphenyl)methyl]ethanamine
CID 151189030
7-fluoro-3-methyl-1H-indole
CID 55287812
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 25142685
3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
CID 82374015
2-(7-fluoro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110851272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine (CID 96672189) is N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine is CCNCCCc1c[nH]c2c(F)cccc12.
What is the InChIKey of N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine?
The InChIKey is GBBZSJDKDDHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-2-15-8-4-5-10-9-16-13-11(10)6-3-7-12(13)14/h3,6-7,9,15-16H,2,4-5,8H2,1H3.
What are the key properties of N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine?
N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 96672189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).