1-(3-bromophenoxy)-4-methoxybutan-2-amine

C11H16BrNO2 — CID 117236752

IUPAC1-(3-bromophenoxy)-4-methoxybutan-2-amine
SMILESCOCCC(N)COc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-14-6-5-10(13)8-15-11-4-2-3-9(12)7-11/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyBLJXOWUAKWSLGA-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.19
Rot. Bonds6

About 1-(3-bromophenoxy)-4-methoxybutan-2-amine

1-(3-bromophenoxy)-4-methoxybutan-2-amine (PubChem CID 117236752) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenoxy)-4-methoxybutan-2-amine
PubChem CID117236752
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(3-bromophenoxy)-4-methoxybutan-2-amine
SMILESCOCCC(N)COc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-14-6-5-10(13)8-15-11-4-2-3-9(12)7-11/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyBLJXOWUAKWSLGA-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740
1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
CID 54970505
1-bromo-3-[(2R)-2-methoxypropoxy]benzene
CID 130454030
2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine
CID 117242682
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1-bromo-3-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60732563
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3-bromophenoxy)-4-methoxybutan-2-amine (CID 117236752) is 1-(3-bromophenoxy)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3-bromophenoxy)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3-bromophenoxy)-4-methoxybutan-2-amine is COCCC(N)COc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenoxy)-4-methoxybutan-2-amine?
The InChIKey is BLJXOWUAKWSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-14-6-5-10(13)8-15-11-4-2-3-9(12)7-11/h2-4,7,10H,5-6,8,13H2,1H3.
What are the key properties of 1-(3-bromophenoxy)-4-methoxybutan-2-amine?
1-(3-bromophenoxy)-4-methoxybutan-2-amine has a molecular weight of 274.16 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-4-methoxybutan-2-amine is sourced from PubChem (CID 117236752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).