methyl 2-(3-bromophenyl)-2-methylpropanimidate

C11H14BrNO — CID 137433379

IUPACmethyl 2-(3-bromophenyl)-2-methylpropanimidate
SMILES[H]/N=C(\OC)C(C)(C)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h4-7,13H,1-3H3/b13-10-
InChIKeyLPNNNUHGZWAICM-RAXLEYEMSA-N
MW256.14 g/mol
LogP3.35
Rot. Bonds2

About methyl 2-(3-bromophenyl)-2-methylpropanimidate

methyl 2-(3-bromophenyl)-2-methylpropanimidate (PubChem CID 137433379) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-2-methylpropanimidate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-2-methylpropanimidate
PubChem CID137433379
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Namemethyl 2-(3-bromophenyl)-2-methylpropanimidate
SMILES[H]/N=C(\OC)C(C)(C)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h4-7,13H,1-3H3/b13-10-
InChIKeyLPNNNUHGZWAICM-RAXLEYEMSA-N
XLogP3.35
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.35
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-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424
methyl (2S)-2-(3-bromophenyl)-2,3,3,3-tetrafluoropropanoate
CID 125050386
methyl 4-amino-3-(3-bromophenyl)-3,4-dimethylpentanoate
CID 66089307
methyl 4-amino-2-(3-bromophenyl)-2-methylbutanoate
CID 158531044
2-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119225762
methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
CID 60788201
methyl 4-bromo-2-(3-bromophenyl)-2-methylbutanoate
CID 171077124
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
2-(3-bromophenyl)propan-2-ylcarbamic acid
CID 68549708
3-(3-bromophenyl)-N-methanimidoyl-N,3-dimethylbutanimidamide
CID 178023092
methyl 2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142674

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-2-methylpropanimidate?
The IUPAC name of methyl 2-(3-bromophenyl)-2-methylpropanimidate (CID 137433379) is methyl 2-(3-bromophenyl)-2-methylpropanimidate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-2-methylpropanimidate?
The canonical SMILES for methyl 2-(3-bromophenyl)-2-methylpropanimidate is [H]/N=C(\OC)C(C)(C)c1cccc(Br)c1.
What is the InChIKey of methyl 2-(3-bromophenyl)-2-methylpropanimidate?
The InChIKey is LPNNNUHGZWAICM-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h4-7,13H,1-3H3/b13-10-.
What are the key properties of methyl 2-(3-bromophenyl)-2-methylpropanimidate?
methyl 2-(3-bromophenyl)-2-methylpropanimidate has a molecular weight of 256.14 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-2-methylpropanimidate is sourced from PubChem (CID 137433379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).