N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine

C14H17FN2 — CID 55087843

IUPACN-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
SMILESFc1ccc2ccn(CCCNC3CC3)c2c1
InChIInChI=1S/C14H17FN2/c15-12-3-2-11-6-9-17(14(11)10-12)8-1-7-16-13-4-5-13/h2-3,6,9-10,13,16H,1,4-5,7-8H2
InChIKeyDYVUTLILPILNBX-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.92
Rot. Bonds5

About N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine

N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine (PubChem CID 55087843) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
PubChem CID55087843
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
SMILESFc1ccc2ccn(CCCNC3CC3)c2c1
InChIInChI=1S/C14H17FN2/c15-12-3-2-11-6-9-17(14(11)10-12)8-1-7-16-13-4-5-13/h2-3,6,9-10,13,16H,1,4-5,7-8H2
InChIKeyDYVUTLILPILNBX-UHFFFAOYSA-N
XLogP2.92
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
CID 62567358
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
CID 62564082
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
CID 55258997
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
CID 28716039
N-[2-(5-fluoroindol-1-yl)ethyl]cyclohexanamine
CID 55256214
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
N-[2-(5-fluoroindol-1-yl)ethyl]oxan-4-amine
CID 63852335
N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine
CID 18796590
6-fluoro-1-nonylindole
CID 116619867
6-fluoro-1-pent-4-ynylindole
CID 116620040
4-methyl-N-[2-(6-methylindol-1-yl)ethyl]cyclohexan-1-amine
CID 63506793
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine (CID 55087843) is N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine is Fc1ccc2ccn(CCCNC3CC3)c2c1.
What is the InChIKey of N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine?
The InChIKey is DYVUTLILPILNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-12-3-2-11-6-9-17(14(11)10-12)8-1-7-16-13-4-5-13/h2-3,6,9-10,13,16H,1,4-5,7-8H2.
What are the key properties of N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine?
N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine has a molecular weight of 232.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 55087843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).