N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine

C15H19FN2 — CID 82498244

IUPACN-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
SMILESCc1c(CCNC2CC2)c2cc(F)ccc2n1C
InChIInChI=1S/C15H19FN2/c1-10-13(7-8-17-12-4-5-12)14-9-11(16)3-6-15(14)18(10)2/h3,6,9,12,17H,4-5,7-8H2,1-2H3
InChIKeyKLSUSHBZCPJBDE-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine

N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine (PubChem CID 82498244) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
PubChem CID82498244
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC NameN-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
SMILESCc1c(CCNC2CC2)c2cc(F)ccc2n1C
InChIInChI=1S/C15H19FN2/c1-10-13(7-8-17-12-4-5-12)14-9-11(16)3-6-15(14)18(10)2/h3,6,9,12,17H,4-5,7-8H2,1-2H3
InChIKeyKLSUSHBZCPJBDE-UHFFFAOYSA-N
XLogP2.92
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82501198
N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96679061
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
CID 138981272
N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 96677257
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82500619
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364
N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
CID 79224024
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
3-(1,4-diazepan-1-ylmethyl)-5-fluoro-1,2-dimethylindole
CID 98033914
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82501546

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine (CID 82498244) is N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine is Cc1c(CCNC2CC2)c2cc(F)ccc2n1C.
What is the InChIKey of N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The InChIKey is KLSUSHBZCPJBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-13(7-8-17-12-4-5-12)14-9-11(16)3-6-15(14)18(10)2/h3,6,9,12,17H,4-5,7-8H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine has a molecular weight of 246.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 82498244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).