methyl 3-(3-bromophenoxy)propanimidate

C10H12BrNO2 — CID 95465484

IUPACmethyl 3-(3-bromophenoxy)propanimidate
SMILES[H]/N=C(/CCOc1cccc(Br)c1)OC
InChIInChI=1S/C10H12BrNO2/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3/b12-10-
InChIKeyVGGCQKGPQLBZTB-BENRWUELSA-N
MW258.11 g/mol
LogP2.84
Rot. Bonds4

About methyl 3-(3-bromophenoxy)propanimidate

methyl 3-(3-bromophenoxy)propanimidate (PubChem CID 95465484) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is methyl 3-(3-bromophenoxy)propanimidate.

Molecular Properties

Compound Namemethyl 3-(3-bromophenoxy)propanimidate
PubChem CID95465484
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Namemethyl 3-(3-bromophenoxy)propanimidate
SMILES[H]/N=C(/CCOc1cccc(Br)c1)OC
InChIInChI=1S/C10H12BrNO2/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3/b12-10-
InChIKeyVGGCQKGPQLBZTB-BENRWUELSA-N
XLogP2.84
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-[2-(3-bromophenoxy)ethyl-methylamino]benzenecarboximidamide
CID 62971878
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
(3-cyano-4-imino-2-oxopentyl) 3-(3-bromophenoxy)propanoate
CID 7880284
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
1-bromo-3-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60732563

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-bromophenoxy)propanimidate?
The IUPAC name of methyl 3-(3-bromophenoxy)propanimidate (CID 95465484) is methyl 3-(3-bromophenoxy)propanimidate.
What is the SMILES notation for methyl 3-(3-bromophenoxy)propanimidate?
The canonical SMILES for methyl 3-(3-bromophenoxy)propanimidate is [H]/N=C(/CCOc1cccc(Br)c1)OC.
What is the InChIKey of methyl 3-(3-bromophenoxy)propanimidate?
The InChIKey is VGGCQKGPQLBZTB-BENRWUELSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3/b12-10-.
What are the key properties of methyl 3-(3-bromophenoxy)propanimidate?
methyl 3-(3-bromophenoxy)propanimidate has a molecular weight of 258.11 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-bromophenoxy)propanimidate is sourced from PubChem (CID 95465484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).