N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine

C15H20BrNO — CID 63626953

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine
SMILESBrc1ccc2c(c1)CCC(NC1CCCOC1)C2
InChIInChI=1S/C15H20BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-15-2-1-7-18-10-15/h3,5,8,14-15,17H,1-2,4,6-7,9-10H2
InChIKeyOXIDNBNQOXDYLW-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.08
Rot. Bonds2

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine (PubChem CID 63626953) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine
PubChem CID63626953
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine
SMILESBrc1ccc2c(c1)CCC(NC1CCCOC1)C2
InChIInChI=1S/C15H20BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-15-2-1-7-18-10-15/h3,5,8,14-15,17H,1-2,4,6-7,9-10H2
InChIKeyOXIDNBNQOXDYLW-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine (CID 63626953) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine is Brc1ccc2c(c1)CCC(NC1CCCOC1)C2.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine?
The InChIKey is OXIDNBNQOXDYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-15-2-1-7-18-10-15/h3,5,8,14-15,17H,1-2,4,6-7,9-10H2.
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine has a molecular weight of 310.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxan-3-amine is sourced from PubChem (CID 63626953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).