4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol

C16H18BrNO2 — CID 67873607

IUPAC4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
SMILESOc1ccc(CCNC[C@H](O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrNO2/c17-14-3-1-2-13(10-14)16(20)11-18-9-8-12-4-6-15(19)7-5-12/h1-7,10,16,18-20H,8-9,11H2/t16-/m0/s1
InChIKeyYFRFIBYRGUMUFI-INIZCTEOSA-N
MW336.23 g/mol
LogP3.02
Rot. Bonds6

About 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol

4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol (PubChem CID 67873607) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
PubChem CID67873607
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
SMILESOc1ccc(CCNC[C@H](O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrNO2/c17-14-3-1-2-13(10-14)16(20)11-18-9-8-12-4-6-15(19)7-5-12/h1-7,10,16,18-20H,8-9,11H2/t16-/m0/s1
InChIKeyYFRFIBYRGUMUFI-INIZCTEOSA-N
XLogP3.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
CID 14368658
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
4-[2-[bis[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 54261820
1-(3-bromophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325635
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 60733991
1-(3-bromophenyl)-2-(4-propylanilino)ethanol
CID 60909148
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol (CID 67873607) is 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol is Oc1ccc(CCNC[C@H](O)c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol?
The InChIKey is YFRFIBYRGUMUFI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-14-3-1-2-13(10-14)16(20)11-18-9-8-12-4-6-15(19)7-5-12/h1-7,10,16,18-20H,8-9,11H2/t16-/m0/s1.
What are the key properties of 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol?
4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol has a molecular weight of 336.23 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol is sourced from PubChem (CID 67873607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).