1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine

C13H18BrNO2 — CID 43480086

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1cc(Br)ccc1OC)C1CCCO1
InChIInChI=1S/C13H18BrNO2/c1-15-13(12-4-3-7-17-12)10-8-9(14)5-6-11(10)16-2/h5-6,8,12-13,15H,3-4,7H2,1-2H3
InChIKeyYCIZVSRYCJEDCW-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.90
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 43480086) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID43480086
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1cc(Br)ccc1OC)C1CCCO1
InChIInChI=1S/C13H18BrNO2/c1-15-13(12-4-3-7-17-12)10-8-9(14)5-6-11(10)16-2/h5-6,8,12-13,15H,3-4,7H2,1-2H3
InChIKeyYCIZVSRYCJEDCW-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481199
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475724
1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 65154803
[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
CID 103524623
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 104657440
N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
CID 103302330
(5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol
CID 62803125
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
3-[(5-bromo-2-methoxyphenyl)-chloromethyl]oxane
CID 63015273
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 43480086) is 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1cc(Br)ccc1OC)C1CCCO1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is YCIZVSRYCJEDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-15-13(12-4-3-7-17-12)10-8-9(14)5-6-11(10)16-2/h5-6,8,12-13,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 300.20 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43480086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).