N-(4-bromo-2-methylphenyl)oxetan-3-amine

C10H12BrNO — CID 63623459

IUPACN-(4-bromo-2-methylphenyl)oxetan-3-amine
SMILESCc1cc(Br)ccc1NC1COC1
InChIInChI=1S/C10H12BrNO/c1-7-4-8(11)2-3-10(7)12-9-5-13-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyOEEIWCCPKPNQOP-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.57
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)oxetan-3-amine

N-(4-bromo-2-methylphenyl)oxetan-3-amine (PubChem CID 63623459) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)oxetan-3-amine
PubChem CID63623459
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-(4-bromo-2-methylphenyl)oxetan-3-amine
SMILESCc1cc(Br)ccc1NC1COC1
InChIInChI=1S/C10H12BrNO/c1-7-4-8(11)2-3-10(7)12-9-5-13-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyOEEIWCCPKPNQOP-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)oxetan-3-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)oxetan-3-amine (CID 63623459) is N-(4-bromo-2-methylphenyl)oxetan-3-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)oxetan-3-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)oxetan-3-amine is Cc1cc(Br)ccc1NC1COC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)oxetan-3-amine?
The InChIKey is OEEIWCCPKPNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7-4-8(11)2-3-10(7)12-9-5-13-6-9/h2-4,9,12H,5-6H2,1H3.
What are the key properties of N-(4-bromo-2-methylphenyl)oxetan-3-amine?
N-(4-bromo-2-methylphenyl)oxetan-3-amine has a molecular weight of 242.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)oxetan-3-amine is sourced from PubChem (CID 63623459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).