2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine

C11H14BrNO — CID 102551105

IUPAC2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine
SMILESCOc1ccccc1CN1CC1CBr
InChIInChI=1S/C11H14BrNO/c1-14-11-5-3-2-4-9(11)7-13-8-10(13)6-12/h2-5,10H,6-8H2,1H3
InChIKeyYAOWWJPOQMWROF-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.27
Rot. Bonds4

About 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine

2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine (PubChem CID 102551105) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine
PubChem CID102551105
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine
SMILESCOc1ccccc1CN1CC1CBr
InChIInChI=1S/C11H14BrNO/c1-14-11-5-3-2-4-9(11)7-13-8-10(13)6-12/h2-5,10H,6-8H2,1H3
InChIKeyYAOWWJPOQMWROF-UHFFFAOYSA-N
XLogP2.27
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846874
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine?
The IUPAC name of 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine (CID 102551105) is 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine.
What is the SMILES notation for 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine?
The canonical SMILES for 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine is COc1ccccc1CN1CC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine?
The InChIKey is YAOWWJPOQMWROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-11-5-3-2-4-9(11)7-13-8-10(13)6-12/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine?
2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine has a molecular weight of 256.14 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine is sourced from PubChem (CID 102551105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).