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

C10H12BrNO2 — CID 104947171

IUPAC[(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESN[C@H]1CC(CO)Oc2ccc(Br)cc21
InChIInChI=1S/C10H12BrNO2/c11-6-1-2-10-8(3-6)9(12)4-7(5-13)14-10/h1-3,7,9,13H,4-5,12H2/t7?,9-/m0/s1
InChIKeyWGCWQLHTXVJONV-NETXQHHPSA-N
MW258.11 g/mol
LogP1.59
Rot. Bonds1

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

[(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol (PubChem CID 104947171) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol
PubChem CID104947171
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name[(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESN[C@H]1CC(CO)Oc2ccc(Br)cc21
InChIInChI=1S/C10H12BrNO2/c11-6-1-2-10-8(3-6)9(12)4-7(5-13)14-10/h1-3,7,9,13H,4-5,12H2/t7?,9-/m0/s1
InChIKeyWGCWQLHTXVJONV-NETXQHHPSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol
CID 114713189
(4R)-6-bromo-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090694
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 114710103
(4R)-6-bromo-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947376
(4R)-6-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947539
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709987
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol?
The IUPAC name of [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol (CID 104947171) is [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol.
What is the SMILES notation for [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol?
The canonical SMILES for [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol is N[C@H]1CC(CO)Oc2ccc(Br)cc21.
What is the InChIKey of [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol?
The InChIKey is WGCWQLHTXVJONV-NETXQHHPSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-6-1-2-10-8(3-6)9(12)4-7(5-13)14-10/h1-3,7,9,13H,4-5,12H2/t7?,9-/m0/s1.
What are the key properties of [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol?
[(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol has a molecular weight of 258.11 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]methanol is sourced from PubChem (CID 104947171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).