N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine

C16H24BrNO2 — CID 107134487

IUPACN-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(OC2CCCOC2)ccc1Br
InChIInChI=1S/C16H24BrNO2/c1-12(2)9-18-10-13-8-14(5-6-16(13)17)20-15-4-3-7-19-11-15/h5-6,8,12,15,18H,3-4,7,9-11H2,1-2H3
InChIKeyQNBFYZWOKLJRFZ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.75
Rot. Bonds6

About N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107134487) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107134487
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(OC2CCCOC2)ccc1Br
InChIInChI=1S/C16H24BrNO2/c1-12(2)9-18-10-13-8-14(5-6-16(13)17)20-15-4-3-7-19-11-15/h5-6,8,12,15,18H,3-4,7,9-11H2,1-2H3
InChIKeyQNBFYZWOKLJRFZ-UHFFFAOYSA-N
XLogP3.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134528
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]propan-1-amine
CID 82925799
N-[[2-bromo-5-(4-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 83156936
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine
CID 82926404
N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134235
N-[[3-bromo-2-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134326
N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63936014
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
N-[[5-bromo-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63937023
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine (CID 107134487) is N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(OC2CCCOC2)ccc1Br.
What is the InChIKey of N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QNBFYZWOKLJRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12(2)9-18-10-13-8-14(5-6-16(13)17)20-15-4-3-7-19-11-15/h5-6,8,12,15,18H,3-4,7,9-11H2,1-2H3.
What are the key properties of N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107134487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).