N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine

C18H21FN2 — CID 103503085

IUPACN-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCc3ccc(F)cc32)c1
InChIInChI=1S/C18H21FN2/c1-2-20-12-14-4-3-5-15(10-14)13-21-9-8-16-6-7-17(19)11-18(16)21/h3-7,10-11,20H,2,8-9,12-13H2,1H3
InChIKeyYBCYKGFIYSBJLB-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.50
Rot. Bonds5

About N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine

N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 103503085) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID103503085
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCc3ccc(F)cc32)c1
InChIInChI=1S/C18H21FN2/c1-2-20-12-14-4-3-5-15(10-14)13-21-9-8-16-6-7-17(19)11-18(16)21/h3-7,10-11,20H,2,8-9,12-13H2,1H3
InChIKeyYBCYKGFIYSBJLB-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine (CID 103503085) is N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1cccc(CN2CCc3ccc(F)cc32)c1.
What is the InChIKey of N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is YBCYKGFIYSBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-20-12-14-4-3-5-15(10-14)13-21-9-8-16-6-7-17(19)11-18(16)21/h3-7,10-11,20H,2,8-9,12-13H2,1H3.
What are the key properties of N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 103503085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).