[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol

C11H14BrNO2 — CID 114713189

IUPAC[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESCNC1CC(CO)Oc2ccc(Br)cc21
InChIInChI=1S/C11H14BrNO2/c1-13-10-5-8(6-14)15-11-3-2-7(12)4-9(10)11/h2-4,8,10,13-14H,5-6H2,1H3
InChIKeyIKVUFBKSDRZNRQ-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.85
Rot. Bonds2

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

[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol (PubChem CID 114713189) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol.

Molecular Properties

Compound Name[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol
PubChem CID114713189
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESCNC1CC(CO)Oc2ccc(Br)cc21
InChIInChI=1S/C11H14BrNO2/c1-13-10-5-8(6-14)15-11-3-2-7(12)4-9(10)11/h2-4,8,10,13-14H,5-6H2,1H3
InChIKeyIKVUFBKSDRZNRQ-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol?
The IUPAC name of [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol (CID 114713189) is [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol.
What is the SMILES notation for [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol?
The canonical SMILES for [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol is CNC1CC(CO)Oc2ccc(Br)cc21.
What is the InChIKey of [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol?
The InChIKey is IKVUFBKSDRZNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-13-10-5-8(6-14)15-11-3-2-7(12)4-9(10)11/h2-4,8,10,13-14H,5-6H2,1H3.
What are the key properties of [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol?
[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol has a molecular weight of 272.14 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol is sourced from PubChem (CID 114713189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).