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

C16H15ClFNO2 — CID 114710478

IUPAC2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESCNC1CC(c2ccc(O)c(Cl)c2)Oc2ccc(F)cc21
InChIInChI=1S/C16H15ClFNO2/c1-19-13-8-16(9-2-4-14(20)12(17)6-9)21-15-5-3-10(18)7-11(13)15/h2-7,13,16,19-20H,8H2,1H3
InChIKeyUWGPABIDBPPOBA-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.97
Rot. Bonds2

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

2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol (PubChem CID 114710478) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
PubChem CID114710478
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESCNC1CC(c2ccc(O)c(Cl)c2)Oc2ccc(F)cc21
InChIInChI=1S/C16H15ClFNO2/c1-19-13-8-16(9-2-4-14(20)12(17)6-9)21-15-5-3-10(18)7-11(13)15/h2-7,13,16,19-20H,8H2,1H3
InChIKeyUWGPABIDBPPOBA-UHFFFAOYSA-N
XLogP3.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.97
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-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714106
3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710520
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
6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639
6-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710538
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The IUPAC name of 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol (CID 114710478) is 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol.
What is the SMILES notation for 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The canonical SMILES for 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol is CNC1CC(c2ccc(O)c(Cl)c2)Oc2ccc(F)cc21.
What is the InChIKey of 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The InChIKey is UWGPABIDBPPOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-19-13-8-16(9-2-4-14(20)12(17)6-9)21-15-5-3-10(18)7-11(13)15/h2-7,13,16,19-20H,8H2,1H3.
What are the key properties of 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol has a molecular weight of 307.75 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol is sourced from PubChem (CID 114710478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).