[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol

C16H18BrNO — CID 103729618

IUPAC[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
SMILESCC(NCc1cccc(CO)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c1-12(15-5-7-16(17)8-6-15)18-10-13-3-2-4-14(9-13)11-19/h2-9,12,18-19H,10-11H2,1H3
InChIKeyZNYGSNUOFATFLZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.79
Rot. Bonds5

About [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol

[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol (PubChem CID 103729618) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
PubChem CID103729618
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
SMILESCC(NCc1cccc(CO)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c1-12(15-5-7-16(17)8-6-15)18-10-13-3-2-4-14(9-13)11-19/h2-9,12,18-19H,10-11H2,1H3
InChIKeyZNYGSNUOFATFLZ-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol
CID 103781733
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79979302
(1R)-1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81354119
3-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 81352927
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol (CID 103729618) is [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol is CC(NCc1cccc(CO)c1)c1ccc(Br)cc1.
What is the InChIKey of [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol?
The InChIKey is ZNYGSNUOFATFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(15-5-7-16(17)8-6-15)18-10-13-3-2-4-14(9-13)11-19/h2-9,12,18-19H,10-11H2,1H3.
What are the key properties of [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol?
[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol has a molecular weight of 320.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103729618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).