[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol

C10H14BrNO — CID 84802533

IUPAC[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
SMILESCNC(C)c1ccc(Br)cc1CO
InChIInChI=1S/C10H14BrNO/c1-7(12-2)10-4-3-9(11)5-8(10)6-13/h3-5,7,12-13H,6H2,1-2H3
InChIKeyYLPBXAOFESVHJT-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.22
Rot. Bonds3

About [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol

[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol (PubChem CID 84802533) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
PubChem CID84802533
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
SMILESCNC(C)c1ccc(Br)cc1CO
InChIInChI=1S/C10H14BrNO/c1-7(12-2)10-4-3-9(11)5-8(10)6-13/h3-5,7,12-13H,6H2,1-2H3
InChIKeyYLPBXAOFESVHJT-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol
CID 84805928
5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 102947337
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968844
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
1-[4-bromo-2-(2-methylbutylsulfanyl)phenyl]-N-methylethanamine
CID 107750855
1-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947332
5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
CID 107284810
2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine
CID 83901309
1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
CID 82975510

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol?
The IUPAC name of [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol (CID 84802533) is [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol is CNC(C)c1ccc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol?
The InChIKey is YLPBXAOFESVHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(12-2)10-4-3-9(11)5-8(10)6-13/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol?
[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol has a molecular weight of 244.13 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol is sourced from PubChem (CID 84802533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).