2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol

C15H16BrNO2 — CID 107708359

IUPAC2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
SMILESNCc1cc(Br)ccc1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H16BrNO2/c16-13-3-6-15(12(9-13)10-17)19-14-4-1-11(2-5-14)7-8-18/h1-6,9,18H,7-8,10,17H2
InChIKeyQYLNBSCEEQXYHN-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol

2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol (PubChem CID 107708359) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
PubChem CID107708359
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
SMILESNCc1cc(Br)ccc1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H16BrNO2/c16-13-3-6-15(12(9-13)10-17)19-14-4-1-11(2-5-14)7-8-18/h1-6,9,18H,7-8,10,17H2
InChIKeyQYLNBSCEEQXYHN-UHFFFAOYSA-N
XLogP3.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107708372
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
2-[4-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107709115
2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107708403
[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
CID 28981744
2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
CID 107708398
5-bromo-2-(4-propylphenoxy)benzenecarbothioamide
CID 114892261
4-(4-bromo-2-ethylphenoxy)aniline
CID 22688224

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol (CID 107708359) is 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol is NCc1cc(Br)ccc1Oc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol?
The InChIKey is QYLNBSCEEQXYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-13-3-6-15(12(9-13)10-17)19-14-4-1-11(2-5-14)7-8-18/h1-6,9,18H,7-8,10,17H2.
What are the key properties of 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol?
2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol is sourced from PubChem (CID 107708359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).