3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol

C16H16FNO2 — CID 114710520

IUPAC3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESCNC1CC(c2cccc(O)c2)Oc2ccc(F)cc21
InChIInChI=1S/C16H16FNO2/c1-18-14-9-16(10-3-2-4-12(19)7-10)20-15-6-5-11(17)8-13(14)15/h2-8,14,16,18-19H,9H2,1H3
InChIKeyQCGGRQPVIQHYQT-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.32
Rot. Bonds2

About 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol

3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol (PubChem CID 114710520) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol.

Molecular Properties

Compound Name3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
PubChem CID114710520
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESCNC1CC(c2cccc(O)c2)Oc2ccc(F)cc21
InChIInChI=1S/C16H16FNO2/c1-18-14-9-16(10-3-2-4-12(19)7-10)20-15-6-5-11(17)8-13(14)15/h2-8,14,16,18-19H,9H2,1H3
InChIKeyQCGGRQPVIQHYQT-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710478
6-fluoro-2-(3-fluoro-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710423
2-(3-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 105404416
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
6-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710538
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554

Frequently Asked Questions

What is the IUPAC name of 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The IUPAC name of 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol (CID 114710520) is 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol.
What is the SMILES notation for 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The canonical SMILES for 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol is CNC1CC(c2cccc(O)c2)Oc2ccc(F)cc21.
What is the InChIKey of 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The InChIKey is QCGGRQPVIQHYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-18-14-9-16(10-3-2-4-12(19)7-10)20-15-6-5-11(17)8-13(14)15/h2-8,14,16,18-19H,9H2,1H3.
What are the key properties of 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol has a molecular weight of 273.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol is sourced from PubChem (CID 114710520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).