2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline

C15H14FNO — CID 54912524

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H14FNO/c16-12-4-5-14(17)13(9-12)10-3-6-15-11(8-10)2-1-7-18-15/h3-6,8-9H,1-2,7,17H2
InChIKeyPKAZKNFHERTIDD-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.40
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline

2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline (PubChem CID 54912524) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
PubChem CID54912524
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H14FNO/c16-12-4-5-14(17)13(9-12)10-3-6-15-11(8-10)2-1-7-18-15/h3-6,8-9H,1-2,7,17H2
InChIKeyPKAZKNFHERTIDD-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'}

Analyze 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-fluoroaniline
CID 62324517
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine
CID 82479154
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 61025357
1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline (CID 54912524) is 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline is Nc1ccc(F)cc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline?
The InChIKey is PKAZKNFHERTIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-12-4-5-14(17)13(9-12)10-3-6-15-11(8-10)2-1-7-18-15/h3-6,8-9H,1-2,7,17H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline?
2-(3,4-dihydro-2H-chromen-6-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 2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline is sourced from PubChem (CID 54912524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).