N-[2-(2-bromophenyl)ethyl]oxan-4-amine

C13H18BrNO — CID 115653013

IUPACN-[2-(2-bromophenyl)ethyl]oxan-4-amine
SMILESBrc1ccccc1CCNC1CCOCC1
InChIInChI=1S/C13H18BrNO/c14-13-4-2-1-3-11(13)5-8-15-12-6-9-16-10-7-12/h1-4,12,15H,5-10H2
InChIKeyPQMNECPRRBEBAU-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]oxan-4-amine

N-[2-(2-bromophenyl)ethyl]oxan-4-amine (PubChem CID 115653013) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]oxan-4-amine
PubChem CID115653013
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[2-(2-bromophenyl)ethyl]oxan-4-amine
SMILESBrc1ccccc1CCNC1CCOCC1
InChIInChI=1S/C13H18BrNO/c14-13-4-2-1-3-11(13)5-8-15-12-6-9-16-10-7-12/h1-4,12,15H,5-10H2
InChIKeyPQMNECPRRBEBAU-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]oxan-4-amine (CID 115653013) is N-[2-(2-bromophenyl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]oxan-4-amine is Brc1ccccc1CCNC1CCOCC1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]oxan-4-amine?
The InChIKey is PQMNECPRRBEBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-13-4-2-1-3-11(13)5-8-15-12-6-9-16-10-7-12/h1-4,12,15H,5-10H2.
What are the key properties of N-[2-(2-bromophenyl)ethyl]oxan-4-amine?
N-[2-(2-bromophenyl)ethyl]oxan-4-amine has a molecular weight of 284.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 115653013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).