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

C15H22BrNO2 — CID 107134235

IUPACN-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)ccc1OC1CCCOC1
InChIInChI=1S/C15H22BrNO2/c1-11(2)17-9-12-8-13(16)5-6-15(12)19-14-4-3-7-18-10-14/h5-6,8,11,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyFMYWVSXCKYLWGG-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.50
Rot. Bonds5

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

N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine (PubChem CID 107134235) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
PubChem CID107134235
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)ccc1OC1CCCOC1
InChIInChI=1S/C15H22BrNO2/c1-11(2)17-9-12-8-13(16)5-6-15(12)19-14-4-3-7-18-10-14/h5-6,8,11,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyFMYWVSXCKYLWGG-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
CID 107135040
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
N-[[5-bromo-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63937023
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine
CID 63557537
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
CID 117460990

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine (CID 107134235) is N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(Br)ccc1OC1CCCOC1.
What is the InChIKey of N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine?
The InChIKey is FMYWVSXCKYLWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11(2)17-9-12-8-13(16)5-6-15(12)19-14-4-3-7-18-10-14/h5-6,8,11,14,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine?
N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107134235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).