(E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine

C9H12BrNOS — CID 127018460

IUPAC(E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCC(C)(C)O/N=C/c1sccc1Br
InChIInChI=1S/C9H12BrNOS/c1-9(2,3)12-11-6-8-7(10)4-5-13-8/h4-6H,1-3H3/b11-6+
InChIKeyLHCRWSDKMLMOQI-IZZDOVSWSA-N
MW262.17 g/mol
LogP3.66
Rot. Bonds2

About (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine

(E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine (PubChem CID 127018460) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine.

Molecular Properties

Compound Name(E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine
PubChem CID127018460
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name(E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCC(C)(C)O/N=C/c1sccc1Br
InChIInChI=1S/C9H12BrNOS/c1-9(2,3)12-11-6-8-7(10)4-5-13-8/h4-6H,1-3H3/b11-6+
InChIKeyLHCRWSDKMLMOQI-IZZDOVSWSA-N
XLogP3.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-(2-methoxyethenyl)thiophene
CID 59419579
(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine
CID 103091627
(E)-3-(3-bromothiophen-2-yl)prop-2-enal
CID 115381546
3-bromo-2-(2,2-dibromoethenyl)thiophene
CID 86003937
(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine
CID 89330312
(E)-2-amino-3-(3-bromothiophen-2-yl)prop-2-enoic acid
CID 104830996
(E)-4-(3-bromothiophen-2-yl)-2-oxobut-3-enoic acid
CID 103200148
2-[2-bromo-4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenoxy]acetic acid
CID 86814326
N-[(E)-(3-bromothiophen-2-yl)methylideneamino]naphthalen-1-amine
CID 11359464
3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine
CID 80537311
3-bromo-2-(4-chloro-2-methylbutan-2-yl)thiophene
CID 80536754
N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine
CID 115381587

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The IUPAC name of (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine (CID 127018460) is (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine.
What is the SMILES notation for (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The canonical SMILES for (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine is CC(C)(C)O/N=C/c1sccc1Br.
What is the InChIKey of (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The InChIKey is LHCRWSDKMLMOQI-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-9(2,3)12-11-6-8-7(10)4-5-13-8/h4-6H,1-3H3/b11-6+.
What are the key properties of (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
(E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine has a molecular weight of 262.17 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine is sourced from PubChem (CID 127018460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).