(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine

C12H15BrFNO — CID 107138851

IUPAC(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine
SMILESNC(c1ccc(F)cc1Br)C1CCCOC1
InChIInChI=1S/C12H15BrFNO/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h3-4,6,8,12H,1-2,5,7,15H2
InChIKeyXFGLPDIECKYSEC-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.01
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine

(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine (PubChem CID 107138851) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine
PubChem CID107138851
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine
SMILESNC(c1ccc(F)cc1Br)C1CCCOC1
InChIInChI=1S/C12H15BrFNO/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h3-4,6,8,12H,1-2,5,7,15H2
InChIKeyXFGLPDIECKYSEC-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
(4-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107136978
3-[bromo-(2,4-difluorophenyl)methyl]oxane
CID 63013323
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
(3-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107139205
5-[amino(oxan-3-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 55150878
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
3-[chloro-(2,4-difluorophenyl)methyl]oxane
CID 63014568
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
CID 107139062
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine?
The IUPAC name of (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine (CID 107138851) is (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine is NC(c1ccc(F)cc1Br)C1CCCOC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine?
The InChIKey is XFGLPDIECKYSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h3-4,6,8,12H,1-2,5,7,15H2.
What are the key properties of (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine?
(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine has a molecular weight of 288.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 107138851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).