1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol

C16H18BrNO2 — CID 23647926

IUPAC1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccccc1CNCC(O)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-20-16-8-3-2-5-13(16)10-18-11-15(19)12-6-4-7-14(17)9-12/h2-9,15,18-19H,10-11H2,1H3
InChIKeyQMYGLCYUZLYDOR-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.28
Rot. Bonds6

About 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol

1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol (PubChem CID 23647926) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
PubChem CID23647926
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccccc1CNCC(O)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-20-16-8-3-2-5-13(16)10-18-11-15(19)12-6-4-7-14(17)9-12/h2-9,15,18-19H,10-11H2,1H3
InChIKeyQMYGLCYUZLYDOR-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

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Related Compounds

1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
(1S)-2-[(2-bromophenyl)methylamino]-1-(3,4-dimethoxyphenyl)ethanol
CID 129390967
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
1-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylamino]ethanol
CID 10851837
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 45029997
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-(3-bromophenyl)-2-(2-methoxy-5-methylanilino)ethanol
CID 60898693
1-bromo-3-[1-bromo-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79431763

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol (CID 23647926) is 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol is COc1ccccc1CNCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The InChIKey is QMYGLCYUZLYDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-20-16-8-3-2-5-13(16)10-18-11-15(19)12-6-4-7-14(17)9-12/h2-9,15,18-19H,10-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol 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 1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 23647926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).