N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine

C12H15BrClNO — CID 103478032

IUPACN-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine
SMILESCC1CC(Nc2cccc(Cl)c2Br)CCO1
InChIInChI=1S/C12H15BrClNO/c1-8-7-9(5-6-16-8)15-11-4-2-3-10(14)12(11)13/h2-4,8-9,15H,5-7H2,1H3
InChIKeyMWCZISNKTPVCRS-UHFFFAOYSA-N
MW304.62 g/mol
LogP4.08
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine

N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine (PubChem CID 103478032) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine
PubChem CID103478032
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine
SMILESCC1CC(Nc2cccc(Cl)c2Br)CCO1
InChIInChI=1S/C12H15BrClNO/c1-8-7-9(5-6-16-8)15-11-4-2-3-10(14)12(11)13/h2-4,8-9,15H,5-7H2,1H3
InChIKeyMWCZISNKTPVCRS-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine (CID 103478032) is N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine is CC1CC(Nc2cccc(Cl)c2Br)CCO1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine?
The InChIKey is MWCZISNKTPVCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-8-7-9(5-6-16-8)15-11-4-2-3-10(14)12(11)13/h2-4,8-9,15H,5-7H2,1H3.
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine?
N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine has a molecular weight of 304.62 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine is sourced from PubChem (CID 103478032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).