(3,5-dibromophenyl)-(oxan-3-yl)methanamine

C12H15Br2NO — CID 107978057

IUPAC(3,5-dibromophenyl)-(oxan-3-yl)methanamine
SMILESNC(c1cc(Br)cc(Br)c1)C1CCCOC1
InChIInChI=1S/C12H15Br2NO/c13-10-4-9(5-11(14)6-10)12(15)8-2-1-3-16-7-8/h4-6,8,12H,1-3,7,15H2
InChIKeyWELFMWIXVXRKMM-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.64
Rot. Bonds2

About (3,5-dibromophenyl)-(oxan-3-yl)methanamine

(3,5-dibromophenyl)-(oxan-3-yl)methanamine (PubChem CID 107978057) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(oxan-3-yl)methanamine
PubChem CID107978057
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name(3,5-dibromophenyl)-(oxan-3-yl)methanamine
SMILESNC(c1cc(Br)cc(Br)c1)C1CCCOC1
InChIInChI=1S/C12H15Br2NO/c13-10-4-9(5-11(14)6-10)12(15)8-2-1-3-16-7-8/h4-6,8,12H,1-3,7,15H2
InChIKeyWELFMWIXVXRKMM-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 107139267
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
(4-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107136978
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine
CID 107138851
(4-chloro-3-fluorophenyl)-(oxan-3-yl)methanamine
CID 107996101
(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023
cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
bis(oxan-3-yl)methanamine
CID 107136437
5-[amino(oxan-3-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 55150878

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(oxan-3-yl)methanamine?
The IUPAC name of (3,5-dibromophenyl)-(oxan-3-yl)methanamine (CID 107978057) is (3,5-dibromophenyl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-(oxan-3-yl)methanamine?
The canonical SMILES for (3,5-dibromophenyl)-(oxan-3-yl)methanamine is NC(c1cc(Br)cc(Br)c1)C1CCCOC1.
What is the InChIKey of (3,5-dibromophenyl)-(oxan-3-yl)methanamine?
The InChIKey is WELFMWIXVXRKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c13-10-4-9(5-11(14)6-10)12(15)8-2-1-3-16-7-8/h4-6,8,12H,1-3,7,15H2.
What are the key properties of (3,5-dibromophenyl)-(oxan-3-yl)methanamine?
(3,5-dibromophenyl)-(oxan-3-yl)methanamine has a molecular weight of 349.07 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 107978057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).