2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol

C15H16BrNO2 — CID 55146378

IUPAC2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
SMILESOc1ccc(CCNCc2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c16-14-9-12(3-6-15(14)19)10-17-8-7-11-1-4-13(18)5-2-11/h1-6,9,17-19H,7-8,10H2
InChIKeyJPKHZZJTHZCBNN-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.19
Rot. Bonds5

About 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol

2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol (PubChem CID 55146378) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
PubChem CID55146378
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
SMILESOc1ccc(CCNCc2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C15H16BrNO2/c16-14-9-12(3-6-15(14)19)10-17-8-7-11-1-4-13(18)5-2-11/h1-6,9,17-19H,7-8,10H2
InChIKeyJPKHZZJTHZCBNN-UHFFFAOYSA-N
XLogP3.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
2-bromo-4-[(4,4,4-trifluorobutylamino)methyl]phenol
CID 113326981
4-[2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,2-diol;hydrochloride
CID 6366773
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819
4-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]benzene-1,2-diol
CID 3027257
4-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]phenol
CID 61238208
2-bromo-4-[(2-ethoxyethylamino)methyl]phenol
CID 60956459
2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61392226
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145
2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol
CID 114169005
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
2-bromo-4-[(3-phenylbutylamino)methyl]phenol
CID 63052634

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol (CID 55146378) is 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol is Oc1ccc(CCNCc2ccc(O)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol?
The InChIKey is JPKHZZJTHZCBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-14-9-12(3-6-15(14)19)10-17-8-7-11-1-4-13(18)5-2-11/h1-6,9,17-19H,7-8,10H2.
What are the key properties of 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol?
2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol has a molecular weight of 322.20 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 55146378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).