3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine

C12H15FN2 — CID 62564082

IUPAC3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
SMILESCNCCCn1ccc2ccc(F)cc21
InChIInChI=1S/C12H15FN2/c1-14-6-2-7-15-8-5-10-3-4-11(13)9-12(10)15/h3-5,8-9,14H,2,6-7H2,1H3
InChIKeyJKKDCRZFTCYNCZ-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.39
Rot. Bonds4

About 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine

3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine (PubChem CID 62564082) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
PubChem CID62564082
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
SMILESCNCCCn1ccc2ccc(F)cc21
InChIInChI=1S/C12H15FN2/c1-14-6-2-7-15-8-5-10-3-4-11(13)9-12(10)15/h3-5,8-9,14H,2,6-7H2,1H3
InChIKeyJKKDCRZFTCYNCZ-UHFFFAOYSA-N
XLogP2.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
CID 55087843
6-fluoro-1-nonylindole
CID 116619867
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
6-fluoro-1-pent-4-ynylindole
CID 116620040
2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine
CID 62564083
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505975
3-(6-fluoroindol-1-yl)propanal
CID 63040201
2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505809
cobalt;1-ethyl-6-fluoroindole
CID 58657570
3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 63850949
1-[2-(6-fluoroindol-1-yl)ethyl]pyrazol-3-amine
CID 63316022

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine (CID 62564082) is 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine is CNCCCn1ccc2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine?
The InChIKey is JKKDCRZFTCYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-14-6-2-7-15-8-5-10-3-4-11(13)9-12(10)15/h3-5,8-9,14H,2,6-7H2,1H3.
What are the key properties of 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine?
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine has a molecular weight of 206.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62564082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).