N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine

C19H14FNS — CID 22663946

IUPACN-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine
SMILESFc1ccccc1CNc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C19H14FNS/c20-17-7-3-1-5-13(17)12-21-14-9-10-19-16(11-14)15-6-2-4-8-18(15)22-19/h1-11,21H,12H2
InChIKeyBWCATMULRDIZQM-UHFFFAOYSA-N
MW307.39 g/mol
LogP5.81
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine

N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine (PubChem CID 22663946) has the molecular formula C19H14FNS and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine
PubChem CID22663946
Molecular FormulaC19H14FNS
Molecular Weight307.39 g/mol
Exact Mass307.08
IUPAC NameN-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine
SMILESFc1ccccc1CNc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C19H14FNS/c20-17-7-3-1-5-13(17)12-21-14-9-10-19-16(11-14)15-6-2-4-8-18(15)22-19/h1-11,21H,12H2
InChIKeyBWCATMULRDIZQM-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine (CID 22663946) is N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine is Fc1ccccc1CNc1ccc2sc3ccccc3c2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine?
The InChIKey is BWCATMULRDIZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNS/c20-17-7-3-1-5-13(17)12-21-14-9-10-19-16(11-14)15-6-2-4-8-18(15)22-19/h1-11,21H,12H2.
What are the key properties of N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine?
N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine has a molecular weight of 307.39 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]dibenzothiophen-2-amine is sourced from PubChem (CID 22663946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).