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

C20H18FNO2 — CID 166887924

IUPAC3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
SMILESCOc1ccc2ccc3c(c2c1)CC(N)C(c1cccc(F)c1)O3
InChIInChI=1S/C20H18FNO2/c1-23-15-7-5-12-6-8-19-17(16(12)10-15)11-18(22)20(24-19)13-3-2-4-14(21)9-13/h2-10,18,20H,11,22H2,1H3
InChIKeyOXGOYXKLVFBWRT-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.99
Rot. Bonds2

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

3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine (PubChem CID 166887924) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
PubChem CID166887924
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
SMILESCOc1ccc2ccc3c(c2c1)CC(N)C(c1cccc(F)c1)O3
InChIInChI=1S/C20H18FNO2/c1-23-15-7-5-12-6-8-19-17(16(12)10-15)11-18(22)20(24-19)13-3-2-4-14(21)9-13/h2-10,18,20H,11,22H2,1H3
InChIKeyOXGOYXKLVFBWRT-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

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Related Compounds

3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391958
2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene-7-carbonitrile
CID 175391763
(1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane
CID 135068537
(3S)-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene
CID 130392127
(2S,3R)-2-amino-9-ethoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile
CID 166887651
9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene
CID 130392024
4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188498
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(3-fluorophenyl)-6-methoxynaphthalene
CID 45156519
(2S,3R)-8-bromo-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130385242
3-(aminomethyl)-5-(3-fluorophenyl)-8-methoxy-2-N-methyl-5H-chromeno[2,3-b]pyridine-2,4-diamine
CID 142908533

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The IUPAC name of 3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine (CID 166887924) is 3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The canonical SMILES for 3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine is COc1ccc2ccc3c(c2c1)CC(N)C(c1cccc(F)c1)O3.
What is the InChIKey of 3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The InChIKey is OXGOYXKLVFBWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-23-15-7-5-12-6-8-19-17(16(12)10-15)11-18(22)20(24-19)13-3-2-4-14(21)9-13/h2-10,18,20H,11,22H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine?
3-(3-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-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine is sourced from PubChem (CID 166887924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).