N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine

C19H14FNO — CID 138456773

IUPACN-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
SMILESCN(c1ccc(F)cc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H14FNO/c1-21(14-11-9-13(20)10-12-14)17-7-4-6-16-15-5-2-3-8-18(15)22-19(16)17/h2-12H,1H3
InChIKeyFBDQSORZOYTZMX-UHFFFAOYSA-N
MW291.33 g/mol
LogP5.49
Rot. Bonds2

About N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine

N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine (PubChem CID 138456773) has the molecular formula C19H14FNO and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
PubChem CID138456773
Molecular FormulaC19H14FNO
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC NameN-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
SMILESCN(c1ccc(F)cc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H14FNO/c1-21(14-11-9-13(20)10-12-14)17-7-4-6-16-15-5-2-3-8-18(15)22-19(16)17/h2-12H,1H3
InChIKeyFBDQSORZOYTZMX-UHFFFAOYSA-N
XLogP5.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.33
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine?
The IUPAC name of N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine (CID 138456773) is N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine is CN(c1ccc(F)cc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine?
The InChIKey is FBDQSORZOYTZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO/c1-21(14-11-9-13(20)10-12-14)17-7-4-6-16-15-5-2-3-8-18(15)22-19(16)17/h2-12H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine?
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine has a molecular weight of 291.33 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine is sourced from PubChem (CID 138456773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).