2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol

C16H18BrNO2 — CID 63182463

IUPAC2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
SMILESCOc1ccc(CNC(CO)c2ccccc2)cc1Br
InChIInChI=1S/C16H18BrNO2/c1-20-16-8-7-12(9-14(16)17)10-18-15(11-19)13-5-3-2-4-6-13/h2-9,15,18-19H,10-11H2,1H3
InChIKeyPTUSFDBBDVJASV-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.28
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol

2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol (PubChem CID 63182463) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
PubChem CID63182463
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
SMILESCOc1ccc(CNC(CO)c2ccccc2)cc1Br
InChIInChI=1S/C16H18BrNO2/c1-20-16-8-7-12(9-14(16)17)10-18-15(11-19)13-5-3-2-4-6-13/h2-9,15,18-19H,10-11H2,1H3
InChIKeyPTUSFDBBDVJASV-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol 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

N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
CID 63182178
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol
CID 103766342
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
2-[(3-bromo-4-methoxyphenyl)methylamino]butanedioic acid
CID 115144374
(1R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78978073
1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949264

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol (CID 63182463) is 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol is COc1ccc(CNC(CO)c2ccccc2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol?
The InChIKey is PTUSFDBBDVJASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-20-16-8-7-12(9-14(16)17)10-18-15(11-19)13-5-3-2-4-6-13/h2-9,15,18-19H,10-11H2,1H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol?
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol has a molecular weight of 336.23 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 63182463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).