N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine

C18H21FN2 — CID 43281003

IUPACN-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCc3ccccc32)c(F)c1
InChIInChI=1S/C18H21FN2/c1-13(2)20-12-14-7-8-18(16(19)11-14)21-10-9-15-5-3-4-6-17(15)21/h3-8,11,13,20H,9-10,12H2,1-2H3
InChIKeyVMDQNPOLMQPOPX-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.02
Rot. Bonds4

About N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine

N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine (PubChem CID 43281003) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
PubChem CID43281003
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCc3ccccc32)c(F)c1
InChIInChI=1S/C18H21FN2/c1-13(2)20-12-14-7-8-18(16(19)11-14)21-10-9-15-5-3-4-6-17(15)21/h3-8,11,13,20H,9-10,12H2,1-2H3
InChIKeyVMDQNPOLMQPOPX-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol
CID 43506012
N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388865
N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81249037
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248946
N-[[4-(2,3-dihydroindol-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135686
N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62121004
N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542420
N-[[5-bromo-2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62280668
N-[[3-chloro-4-(2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
CID 81149063
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine (CID 43281003) is N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(N2CCc3ccccc32)c(F)c1.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine?
The InChIKey is VMDQNPOLMQPOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13(2)20-12-14-7-8-18(16(19)11-14)21-10-9-15-5-3-4-6-17(15)21/h3-8,11,13,20H,9-10,12H2,1-2H3.
What are the key properties of N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine?
N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 43281003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).