N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine

C21H18FNO — CID 134954798

IUPACN-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1c(F)oc2ccc3ccccc3c12
InChIInChI=1S/C21H18FNO/c1-23(13-15-7-3-2-4-8-15)14-18-20-17-10-6-5-9-16(17)11-12-19(20)24-21(18)22/h2-12H,13-14H2,1H3
InChIKeyJUMPULUVRDQKQU-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.36
Rot. Bonds4

About N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine

N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 134954798) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID134954798
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1c(F)oc2ccc3ccccc3c12
InChIInChI=1S/C21H18FNO/c1-23(13-15-7-3-2-4-8-15)14-18-20-17-10-6-5-9-16(17)11-12-19(20)24-21(18)22/h2-12H,13-14H2,1H3
InChIKeyJUMPULUVRDQKQU-UHFFFAOYSA-N
XLogP5.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine (CID 134954798) is N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1c(F)oc2ccc3ccccc3c12.
What is the InChIKey of N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is JUMPULUVRDQKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-23(13-15-7-3-2-4-8-15)14-18-20-17-10-6-5-9-16(17)11-12-19(20)24-21(18)22/h2-12H,13-14H2,1H3.
What are the key properties of N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine?
N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 319.38 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorobenzo[e][1]benzofuran-1-yl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 134954798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).