methyl 3-(2-bromophenyl)propanimidate

C10H12BrNO — CID 82293284

IUPACmethyl 3-(2-bromophenyl)propanimidate
SMILES[H]/N=C(/CCc1ccccc1Br)OC
InChIInChI=1S/C10H12BrNO/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3/b12-10-
InChIKeyZEOHLJAJZNLPRM-BENRWUELSA-N
MW242.12 g/mol
LogP3.01
Rot. Bonds3

About methyl 3-(2-bromophenyl)propanimidate

methyl 3-(2-bromophenyl)propanimidate (PubChem CID 82293284) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is methyl 3-(2-bromophenyl)propanimidate.

Molecular Properties

Compound Namemethyl 3-(2-bromophenyl)propanimidate
PubChem CID82293284
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Namemethyl 3-(2-bromophenyl)propanimidate
SMILES[H]/N=C(/CCc1ccccc1Br)OC
InChIInChI=1S/C10H12BrNO/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3/b12-10-
InChIKeyZEOHLJAJZNLPRM-BENRWUELSA-N
XLogP3.01
TPSA33.08 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Bromophenethyl methyl ether
CID 5151997
Methyl 2-(4-bromophenyl)acetimidate hydrochloride
CID 12624592
Methyl 4-phenylbutanimidate
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Methyl-3 phenylpropionimidate hydrochloride
CID 21273004
Methyl 3-phenylpropanimidate
CID 21273005
Ethyl 2-(4-bromophenyl)ethanecarboximidate hydrochloride
CID 46318436
3-(2-Bromophenyl)propyl methyl ether
CID 54369441
Ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate
CID 124705585
2-Bromo-4-fluoro-1-(3-methoxypropyl)benzene
CID 134570029
Methyl 2-(4-bromo-3-fluorophenyl)ethanimidate
CID 155190434
Ethyl 3-(4-bromo-2-fluorophenyl)propanimidate
CID 164097987
Ethyl 2-(4-bromo-2-fluoro-5-methylphenyl)ethanimidate
CID 164544846

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-bromophenyl)propanimidate?
The IUPAC name of methyl 3-(2-bromophenyl)propanimidate (CID 82293284) is methyl 3-(2-bromophenyl)propanimidate.
What is the SMILES notation for methyl 3-(2-bromophenyl)propanimidate?
The canonical SMILES for methyl 3-(2-bromophenyl)propanimidate is [H]/N=C(/CCc1ccccc1Br)OC.
What is the InChIKey of methyl 3-(2-bromophenyl)propanimidate?
The InChIKey is ZEOHLJAJZNLPRM-BENRWUELSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3/b12-10-.
What are the key properties of methyl 3-(2-bromophenyl)propanimidate?
methyl 3-(2-bromophenyl)propanimidate has a molecular weight of 242.12 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-bromophenyl)propanimidate is sourced from PubChem (CID 82293284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).