4-(2-bromophenyl)-N-methyloxan-4-amine

C12H16BrNO — CID 83693916

IUPAC4-(2-bromophenyl)-N-methyloxan-4-amine
SMILESCNC1(c2ccccc2Br)CCOCC1
InChIInChI=1S/C12H16BrNO/c1-14-12(6-8-15-9-7-12)10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3
InChIKeyLMAFSVKJFHPRNY-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.67
Rot. Bonds2

About 4-(2-bromophenyl)-N-methyloxan-4-amine

4-(2-bromophenyl)-N-methyloxan-4-amine (PubChem CID 83693916) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-methyloxan-4-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-methyloxan-4-amine
PubChem CID83693916
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-(2-bromophenyl)-N-methyloxan-4-amine
SMILESCNC1(c2ccccc2Br)CCOCC1
InChIInChI=1S/C12H16BrNO/c1-14-12(6-8-15-9-7-12)10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3
InChIKeyLMAFSVKJFHPRNY-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-methyloxan-4-amine?
The IUPAC name of 4-(2-bromophenyl)-N-methyloxan-4-amine (CID 83693916) is 4-(2-bromophenyl)-N-methyloxan-4-amine.
What is the SMILES notation for 4-(2-bromophenyl)-N-methyloxan-4-amine?
The canonical SMILES for 4-(2-bromophenyl)-N-methyloxan-4-amine is CNC1(c2ccccc2Br)CCOCC1.
What is the InChIKey of 4-(2-bromophenyl)-N-methyloxan-4-amine?
The InChIKey is LMAFSVKJFHPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-14-12(6-8-15-9-7-12)10-4-2-3-5-11(10)13/h2-5,14H,6-9H2,1H3.
What are the key properties of 4-(2-bromophenyl)-N-methyloxan-4-amine?
4-(2-bromophenyl)-N-methyloxan-4-amine has a molecular weight of 270.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-methyloxan-4-amine is sourced from PubChem (CID 83693916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).