(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

C12H13BrFNO — CID 102648870

IUPAC(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H13BrFNO/c13-9-5-4-8(7-10(9)14)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2
InChIKeyAZAOBDDSKBGJLJ-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.28
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102648870) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102648870
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H13BrFNO/c13-9-5-4-8(7-10(9)14)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2
InChIKeyAZAOBDDSKBGJLJ-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647123
[(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649888
(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648987
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648980
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240
(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 104545223
[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 102649912
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62344613

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102648870) is (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)c1ccc(Br)c(F)c1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is AZAOBDDSKBGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-9-5-4-8(7-10(9)14)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 286.14 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102648870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).