N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine

C17H26BrNO — CID 115961722

IUPACN-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Br)cc(CNC(C)(C)C)c1OCC1CCC1
InChIInChI=1S/C17H26BrNO/c1-12-8-15(18)9-14(10-19-17(2,3)4)16(12)20-11-13-6-5-7-13/h8-9,13,19H,5-7,10-11H2,1-4H3
InChIKeyUQKZWCGETZWUIM-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.82
Rot. Bonds5

About N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 115961722) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID115961722
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Br)cc(CNC(C)(C)C)c1OCC1CCC1
InChIInChI=1S/C17H26BrNO/c1-12-8-15(18)9-14(10-19-17(2,3)4)16(12)20-11-13-6-5-7-13/h8-9,13,19H,5-7,10-11H2,1-4H3
InChIKeyUQKZWCGETZWUIM-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620322
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
5-bromo-2-(cyclobutylmethoxy)-3-methylbenzonitrile
CID 171919359
N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112620477
N-[[5-bromo-3-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115961693
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
N-[[4-(cyclohexylmethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81253547
N-[[5-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058191
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
2-[4-bromo-2-[(tert-butylamino)methyl]-6-methylphenoxy]butanoic acid
CID 115961702
N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83186691
N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 104665044

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 115961722) is N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine is Cc1cc(Br)cc(CNC(C)(C)C)c1OCC1CCC1.
What is the InChIKey of N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UQKZWCGETZWUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-12-8-15(18)9-14(10-19-17(2,3)4)16(12)20-11-13-6-5-7-13/h8-9,13,19H,5-7,10-11H2,1-4H3.
What are the key properties of N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115961722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).