N-[(2-bromophenyl)methyl]oxetan-3-amine

C10H12BrNO — CID 56604682

IUPACN-[(2-bromophenyl)methyl]oxetan-3-amine
SMILESBrc1ccccc1CNC1COC1
InChIInChI=1S/C10H12BrNO/c11-10-4-2-1-3-8(10)5-12-9-6-13-7-9/h1-4,9,12H,5-7H2
InChIKeyHKIYOYNALDGDCM-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.94
Rot. Bonds3

About N-[(2-bromophenyl)methyl]oxetan-3-amine

N-[(2-bromophenyl)methyl]oxetan-3-amine (PubChem CID 56604682) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]oxetan-3-amine
PubChem CID56604682
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-[(2-bromophenyl)methyl]oxetan-3-amine
SMILESBrc1ccccc1CNC1COC1
InChIInChI=1S/C10H12BrNO/c11-10-4-2-1-3-8(10)5-12-9-6-13-7-9/h1-4,9,12H,5-7H2
InChIKeyHKIYOYNALDGDCM-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]oxetan-3-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]oxetan-3-amine (CID 56604682) is N-[(2-bromophenyl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]oxetan-3-amine is Brc1ccccc1CNC1COC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]oxetan-3-amine?
The InChIKey is HKIYOYNALDGDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-10-4-2-1-3-8(10)5-12-9-6-13-7-9/h1-4,9,12H,5-7H2.
What are the key properties of N-[(2-bromophenyl)methyl]oxetan-3-amine?
N-[(2-bromophenyl)methyl]oxetan-3-amine has a molecular weight of 242.12 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]oxetan-3-amine is sourced from PubChem (CID 56604682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).