3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline

C15H14FNO — CID 114746463

IUPAC3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C15H14FNO/c16-14-7-6-11(17)9-13(14)12-5-1-3-10-4-2-8-18-15(10)12/h1,3,5-7,9H,2,4,8,17H2
InChIKeyQEOLRWCXQVTZLD-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.40
Rot. Bonds1

About 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline

3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline (PubChem CID 114746463) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline
PubChem CID114746463
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C15H14FNO/c16-14-7-6-11(17)9-13(14)12-5-1-3-10-4-2-8-18-15(10)12/h1,3,5-7,9H,2,4,8,17H2
InChIKeyQEOLRWCXQVTZLD-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline (CID 114746463) is 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline is Nc1ccc(F)c(-c2cccc3c2OCCC3)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline?
The InChIKey is QEOLRWCXQVTZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-14-7-6-11(17)9-13(14)12-5-1-3-10-4-2-8-18-15(10)12/h1,3,5-7,9H,2,4,8,17H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline?
3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline has a molecular weight of 243.28 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline is sourced from PubChem (CID 114746463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).