(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

C12H13Br2NO — CID 107946680

IUPAC(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h3-4,6-7,12H,1-2,5,15H2
InChIKeyPYAKINVTIDWHJB-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.91
Rot. Bonds2

About (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (PubChem CID 107946680) has the molecular formula C12H13Br2NO and a molecular weight of 347.05 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
PubChem CID107946680
Molecular FormulaC12H13Br2NO
Molecular Weight347.05 g/mol
Exact Mass344.94
IUPAC Name(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h3-4,6-7,12H,1-2,5,15H2
InChIKeyPYAKINVTIDWHJB-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 114894573
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033054
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine
CID 107950268
[4-bromo-3-(trifluoromethyl)phenyl]-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033153
(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033531
(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107103040
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033503
2,3-dihydro-1H-inden-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033272
N-[(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 114894935
1-(6-bromonaphthalen-2-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033542
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 115831581
3,4-dihydro-2H-pyran-5-yl-(3-methylfuran-2-yl)methanamine
CID 104804172

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The IUPAC name of (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (CID 107946680) is (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.
What is the SMILES notation for (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The canonical SMILES for (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is NC(C1=COCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The InChIKey is PYAKINVTIDWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h3-4,6-7,12H,1-2,5,15H2.
What are the key properties of (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine has a molecular weight of 347.05 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is sourced from PubChem (CID 107946680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).