N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine

C13H20BrNO — CID 65323672

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1cc(OC)ccc1Br
InChIInChI=1S/C13H20BrNO/c1-5-13(2,3)15-9-10-8-11(16-4)6-7-12(10)14/h6-8,15H,5,9H2,1-4H3
InChIKeyKXLCCGBJVKETMC-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.74
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine

N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine (PubChem CID 65323672) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
PubChem CID65323672
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1cc(OC)ccc1Br
InChIInChI=1S/C13H20BrNO/c1-5-13(2,3)15-9-10-8-11(16-4)6-7-12(10)14/h6-8,15H,5,9H2,1-4H3
InChIKeyKXLCCGBJVKETMC-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
N-[(2-bromo-5-methoxyphenyl)methyl]-2-tert-butylaniline
CID 65323655
N-[(2-bromo-5-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 65323575
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996
N-[(2-bromo-5-methoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527878
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol
CID 28725691

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine (CID 65323672) is N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1cc(OC)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine?
The InChIKey is KXLCCGBJVKETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-5-13(2,3)15-9-10-8-11(16-4)6-7-12(10)14/h6-8,15H,5,9H2,1-4H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine?
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 65323672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).