N-(6-bromonaphthalen-2-yl)oxan-4-amine

C15H16BrNO — CID 81260159

IUPACN-(6-bromonaphthalen-2-yl)oxan-4-amine
SMILESBrc1ccc2cc(NC3CCOCC3)ccc2c1
InChIInChI=1S/C15H16BrNO/c16-13-3-1-12-10-15(4-2-11(12)9-13)17-14-5-7-18-8-6-14/h1-4,9-10,14,17H,5-8H2
InChIKeyPGUQBKFAOBRUJE-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.19
Rot. Bonds2

About N-(6-bromonaphthalen-2-yl)oxan-4-amine

N-(6-bromonaphthalen-2-yl)oxan-4-amine (PubChem CID 81260159) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)oxan-4-amine
PubChem CID81260159
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-(6-bromonaphthalen-2-yl)oxan-4-amine
SMILESBrc1ccc2cc(NC3CCOCC3)ccc2c1
InChIInChI=1S/C15H16BrNO/c16-13-3-1-12-10-15(4-2-11(12)9-13)17-14-5-7-18-8-6-14/h1-4,9-10,14,17H,5-8H2
InChIKeyPGUQBKFAOBRUJE-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.19
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)oxan-4-amine?
The IUPAC name of N-(6-bromonaphthalen-2-yl)oxan-4-amine (CID 81260159) is N-(6-bromonaphthalen-2-yl)oxan-4-amine.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)oxan-4-amine?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)oxan-4-amine is Brc1ccc2cc(NC3CCOCC3)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)oxan-4-amine?
The InChIKey is PGUQBKFAOBRUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-13-3-1-12-10-15(4-2-11(12)9-13)17-14-5-7-18-8-6-14/h1-4,9-10,14,17H,5-8H2.
What are the key properties of N-(6-bromonaphthalen-2-yl)oxan-4-amine?
N-(6-bromonaphthalen-2-yl)oxan-4-amine has a molecular weight of 306.20 g/mol, XLogP of 4.19, 2 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)oxan-4-amine is sourced from PubChem (CID 81260159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).