2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol

C15H16BrNO2 — CID 61392226

IUPAC2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
SMILESOc1ccc(CCNCc2cccc(Br)c2O)cc1
InChIInChI=1S/C15H16BrNO2/c16-14-3-1-2-12(15(14)19)10-17-9-8-11-4-6-13(18)7-5-11/h1-7,17-19H,8-10H2
InChIKeyOOTOFQVUNYGIIM-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.19
Rot. Bonds5

About 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol

2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol (PubChem CID 61392226) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
PubChem CID61392226
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
SMILESOc1ccc(CCNCc2cccc(Br)c2O)cc1
InChIInChI=1S/C15H16BrNO2/c16-14-3-1-2-12(15(14)19)10-17-9-8-11-4-6-13(18)7-5-11/h1-7,17-19H,8-10H2
InChIKeyOOTOFQVUNYGIIM-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 61390265
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
2-bromo-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829529
2-bromo-6-[(3-methylbutylamino)methyl]phenol
CID 61390268
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 55146378
2-bromo-6-[(3-methoxypropylamino)methyl]phenol
CID 61390597
2-bromo-6-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
CID 113229764
2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol
CID 61390527
2-bromo-6-[(2-phenylsulfanylethylamino)methyl]phenol
CID 61392182
2-bromo-6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
CID 62732578
4-[2-(2-bromophenyl)ethyl]phenol
CID 16638816

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol (CID 61392226) is 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol is Oc1ccc(CCNCc2cccc(Br)c2O)cc1.
What is the InChIKey of 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol?
The InChIKey is OOTOFQVUNYGIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-14-3-1-2-12(15(14)19)10-17-9-8-11-4-6-13(18)7-5-11/h1-7,17-19H,8-10H2.
What are the key properties of 2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol?
2-bromo-6-[[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-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 61392226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).