1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine

C15H16BrNO2 — CID 62911214

IUPAC1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1cccc(Oc2ccc(C(C)N)cc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-10H,17H2,1-2H3
InChIKeyLHVMQBLUFDYYFR-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.27
Rot. Bonds4

About 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine

1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine (PubChem CID 62911214) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
PubChem CID62911214
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1cccc(Oc2ccc(C(C)N)cc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-10H,17H2,1-2H3
InChIKeyLHVMQBLUFDYYFR-UHFFFAOYSA-N
XLogP4.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 78937846
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
3-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]-5-methoxybenzonitrile
CID 103567840
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanamine
CID 55185347
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
CID 66813969
CID 66813969
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
(1R)-1-[4-(1,3-benzodioxol-5-yloxy)-3-bromophenyl]ethanamine
CID 78937691

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine (CID 62911214) is 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine is COc1cccc(Oc2ccc(C(C)N)cc2Br)c1.
What is the InChIKey of 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine?
The InChIKey is LHVMQBLUFDYYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-10H,17H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine?
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine has a molecular weight of 322.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 62911214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).