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

C15H14FNO — CID 114746433

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
SMILESNc1ccc(-c2cccc3c2OCCC3)cc1F
InChIInChI=1S/C15H14FNO/c16-13-9-11(6-7-14(13)17)12-5-1-3-10-4-2-8-18-15(10)12/h1,3,5-7,9H,2,4,8,17H2
InChIKeySRIINJHRWUMACF-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.40
Rot. Bonds1

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

4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline (PubChem CID 114746433) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
PubChem CID114746433
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
SMILESNc1ccc(-c2cccc3c2OCCC3)cc1F
InChIInChI=1S/C15H14FNO/c16-13-9-11(6-7-14(13)17)12-5-1-3-10-4-2-8-18-15(10)12/h1,3,5-7,9H,2,4,8,17H2
InChIKeySRIINJHRWUMACF-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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Related Compounds

3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline
CID 114746463
8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
CID 114747683
4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
CID 146374126
4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine
CID 165409358
4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
CID 114746359
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
CID 114746496
2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
CID 54912524
5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine
CID 117308014
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine
CID 114746535
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone
CID 114746501

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline (CID 114746433) is 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline is Nc1ccc(-c2cccc3c2OCCC3)cc1F.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline?
The InChIKey is SRIINJHRWUMACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-13-9-11(6-7-14(13)17)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 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline?
4-(3,4-dihydro-2H-chromen-8-yl)-2-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 4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline is sourced from PubChem (CID 114746433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).