N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine

C14H19BrClNO — CID 81271301

IUPACN-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(Nc2cc(Cl)ccc2Br)CCO1
InChIInChI=1S/C14H19BrClNO/c1-9(2)14-8-11(5-6-18-14)17-13-7-10(16)3-4-12(13)15/h3-4,7,9,11,14,17H,5-6,8H2,1-2H3
InChIKeyYYMWESOIEABSCK-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.72
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine

N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine (PubChem CID 81271301) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine
PubChem CID81271301
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(Nc2cc(Cl)ccc2Br)CCO1
InChIInChI=1S/C14H19BrClNO/c1-9(2)14-8-11(5-6-18-14)17-13-7-10(16)3-4-12(13)15/h3-4,7,9,11,14,17H,5-6,8H2,1-2H3
InChIKeyYYMWESOIEABSCK-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine (CID 81271301) is N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine is CC(C)C1CC(Nc2cc(Cl)ccc2Br)CCO1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine?
The InChIKey is YYMWESOIEABSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-9(2)14-8-11(5-6-18-14)17-13-7-10(16)3-4-12(13)15/h3-4,7,9,11,14,17H,5-6,8H2,1-2H3.
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine?
N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine has a molecular weight of 332.67 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 81271301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).