N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine

C18H22BrNO — CID 81266205

IUPACN-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(Nc2ccc3cc(Br)ccc3c2)CCO1
InChIInChI=1S/C18H22BrNO/c1-12(2)18-11-17(7-8-21-18)20-16-6-4-13-9-15(19)5-3-14(13)10-16/h3-6,9-10,12,17-18,20H,7-8,11H2,1-2H3
InChIKeyYPJVYKHDGKZFHH-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.22
Rot. Bonds3

About N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine

N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine (PubChem CID 81266205) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine
PubChem CID81266205
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(Nc2ccc3cc(Br)ccc3c2)CCO1
InChIInChI=1S/C18H22BrNO/c1-12(2)18-11-17(7-8-21-18)20-16-6-4-13-9-15(19)5-3-14(13)10-16/h3-6,9-10,12,17-18,20H,7-8,11H2,1-2H3
InChIKeyYPJVYKHDGKZFHH-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine (CID 81266205) is N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine is CC(C)C1CC(Nc2ccc3cc(Br)ccc3c2)CCO1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine?
The InChIKey is YPJVYKHDGKZFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12(2)18-11-17(7-8-21-18)20-16-6-4-13-9-15(19)5-3-14(13)10-16/h3-6,9-10,12,17-18,20H,7-8,11H2,1-2H3.
What are the key properties of N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine?
N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine has a molecular weight of 348.28 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 81266205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).