2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine

C17H26BrNO — CID 79338927

IUPAC2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
SMILESCOc1ccc(Br)cc1C=C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H26BrNO/c1-12(2)14(11-19-17(3,4)5)9-13-10-15(18)7-8-16(13)20-6/h7-10,12,19H,11H2,1-6H3
InChIKeyCLVFLXRZTZKMCO-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.89
Rot. Bonds5

About 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine

2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine (PubChem CID 79338927) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
PubChem CID79338927
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
SMILESCOc1ccc(Br)cc1C=C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H26BrNO/c1-12(2)14(11-19-17(3,4)5)9-13-10-15(18)7-8-16(13)20-6/h7-10,12,19H,11H2,1-6H3
InChIKeyCLVFLXRZTZKMCO-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[(4-bromo-2-nitrophenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 114385867
3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340667
4-bromo-2-(3-bromo-2-methylprop-1-enyl)-1-methoxybenzene
CID 79323542
2-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79341999
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-tert-butylbutan-1-amine
CID 79329522
N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine
CID 79330031
2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338842
methyl 2-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63055987
[2-(tert-butylamino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7971426
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479
(Z)-3-(5-bromo-2-methoxyphenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 92967950
(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol
CID 103091202

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine (CID 79338927) is 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine is COc1ccc(Br)cc1C=C(CNC(C)(C)C)C(C)C.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine?
The InChIKey is CLVFLXRZTZKMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-12(2)14(11-19-17(3,4)5)9-13-10-15(18)7-8-16(13)20-6/h7-10,12,19H,11H2,1-6H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine?
2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine is sourced from PubChem (CID 79338927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).