N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine

C20H21FN2O — CID 58171024

IUPACN-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc2c(CNC3CC3)cn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C20H21FN2O/c1-24-18-7-8-19-15(11-22-17-5-6-17)13-23(20(19)10-18)12-14-3-2-4-16(21)9-14/h2-4,7-10,13,17,22H,5-6,11-12H2,1H3
InChIKeyJUSSETUNSVUWSC-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.09
Rot. Bonds6

About N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine

N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine (PubChem CID 58171024) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine
PubChem CID58171024
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc2c(CNC3CC3)cn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C20H21FN2O/c1-24-18-7-8-19-15(11-22-17-5-6-17)13-23(20(19)10-18)12-14-3-2-4-16(21)9-14/h2-4,7-10,13,17,22H,5-6,11-12H2,1H3
InChIKeyJUSSETUNSVUWSC-UHFFFAOYSA-N
XLogP4.09
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine (CID 58171024) is N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine is COc1ccc2c(CNC3CC3)cn(Cc3cccc(F)c3)c2c1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine?
The InChIKey is JUSSETUNSVUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-24-18-7-8-19-15(11-22-17-5-6-17)13-23(20(19)10-18)12-14-3-2-4-16(21)9-14/h2-4,7-10,13,17,22H,5-6,11-12H2,1H3.
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine?
N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine has a molecular weight of 324.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 58171024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).