4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol

C16H18BrNO2 — CID 107737946

IUPAC4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
SMILESCOc1cccc([C@@H](C)NCc2cc(Br)ccc2O)c1
InChIInChI=1S/C16H18BrNO2/c1-11(12-4-3-5-15(9-12)20-2)18-10-13-8-14(17)6-7-16(13)19/h3-9,11,18-19H,10H2,1-2H3/t11-/m1/s1
InChIKeyAFUBXHAXTQPFMT-LLVKDONJSA-N
MW336.23 g/mol
LogP4.01
Rot. Bonds5

About 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol

4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol (PubChem CID 107737946) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
PubChem CID107737946
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
SMILESCOc1cccc([C@@H](C)NCc2cc(Br)ccc2O)c1
InChIInChI=1S/C16H18BrNO2/c1-11(12-4-3-5-15(9-12)20-2)18-10-13-8-14(17)6-7-16(13)19/h3-9,11,18-19H,10H2,1-2H3/t11-/m1/s1
InChIKeyAFUBXHAXTQPFMT-LLVKDONJSA-N
XLogP4.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]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

(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28656129
N-[(2-bromo-4-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115556675
3-[1-[(2-bromo-5-methoxyphenyl)methylamino]ethyl]phenol
CID 103827970
4-[[1-(3-bromophenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953130
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661
4-bromo-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 51981416
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol
CID 81376228

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol (CID 107737946) is 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol is COc1cccc([C@@H](C)NCc2cc(Br)ccc2O)c1.
What is the InChIKey of 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol?
The InChIKey is AFUBXHAXTQPFMT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(12-4-3-5-15(9-12)20-2)18-10-13-8-14(17)6-7-16(13)19/h3-9,11,18-19H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol?
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol has a molecular weight of 336.23 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 107737946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).