[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol

C15H16BrNO2 — CID 78938273

IUPAC[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
SMILESC[C@@H](N)c1ccc(Oc2ccc(CO)cc2)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10(17)12-4-7-15(14(16)8-12)19-13-5-2-11(9-18)3-6-13/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1
InChIKeyPWUGGVOPKIPXLD-SNVBAGLBSA-N
MW322.20 g/mol
LogP3.75
Rot. Bonds4

About [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol

[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol (PubChem CID 78938273) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
PubChem CID78938273
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
SMILESC[C@@H](N)c1ccc(Oc2ccc(CO)cc2)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10(17)12-4-7-15(14(16)8-12)19-13-5-2-11(9-18)3-6-13/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1
InChIKeyPWUGGVOPKIPXLD-SNVBAGLBSA-N
XLogP3.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107709115
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
(1S)-1-[3-bromo-4-(4-propoxyphenoxy)phenyl]ethanamine
CID 63532122
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
2-[4-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709122
(1R)-1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 78937846
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 62911214
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanamine
CID 55185347

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol?
The IUPAC name of [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol (CID 78938273) is [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol.
What is the SMILES notation for [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol?
The canonical SMILES for [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol is C[C@@H](N)c1ccc(Oc2ccc(CO)cc2)c(Br)c1.
What is the InChIKey of [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol?
The InChIKey is PWUGGVOPKIPXLD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10(17)12-4-7-15(14(16)8-12)19-13-5-2-11(9-18)3-6-13/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1.
What are the key properties of [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol?
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol has a molecular weight of 322.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol is sourced from PubChem (CID 78938273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).