3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine

C20H18FNO2 — CID 130391958

IUPAC3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
SMILESCOc1ccc2ccc3c(c2c1)CC(N)C(c1ccc(F)cc1)O3
InChIInChI=1S/C20H18FNO2/c1-23-15-8-4-12-5-9-19-17(16(12)10-15)11-18(22)20(24-19)13-2-6-14(21)7-3-13/h2-10,18,20H,11,22H2,1H3
InChIKeyZWJRRDPSOYVUPP-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.99
Rot. Bonds2

About 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine

3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine (PubChem CID 130391958) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
PubChem CID130391958
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
SMILESCOc1ccc2ccc3c(c2c1)CC(N)C(c1ccc(F)cc1)O3
InChIInChI=1S/C20H18FNO2/c1-23-15-8-4-12-5-9-19-17(16(12)10-15)11-18(22)20(24-19)13-2-6-14(21)7-3-13/h2-10,18,20H,11,22H2,1H3
InChIKeyZWJRRDPSOYVUPP-UHFFFAOYSA-N
XLogP3.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The IUPAC name of 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine (CID 130391958) is 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine is COc1ccc2ccc3c(c2c1)CC(N)C(c1ccc(F)cc1)O3.
What is the InChIKey of 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The InChIKey is ZWJRRDPSOYVUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-23-15-8-4-12-5-9-19-17(16(12)10-15)11-18(22)20(24-19)13-2-6-14(21)7-3-13/h2-10,18,20H,11,22H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine?
3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine has a molecular weight of 323.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine is sourced from PubChem (CID 130391958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).