5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol

C14H22BrNO2 — CID 102947337

IUPAC5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
SMILESCNC(C)c1ccc(Br)cc1OCCCCCO
InChIInChI=1S/C14H22BrNO2/c1-11(16-2)13-7-6-12(15)10-14(13)18-9-5-3-4-8-17/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3
InChIKeySLWPVZCAOSANHW-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.27
Rot. Bonds8

About 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol

5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol (PubChem CID 102947337) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
PubChem CID102947337
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
SMILESCNC(C)c1ccc(Br)cc1OCCCCCO
InChIInChI=1S/C14H22BrNO2/c1-11(16-2)13-7-6-12(15)10-14(13)18-9-5-3-4-8-17/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3
InChIKeySLWPVZCAOSANHW-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
3-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82976384
1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
CID 82975510
1-[4-bromo-2-(2-butoxyethoxy)phenyl]-N-methylethanamine
CID 82976374
1-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947332
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
5-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 114216751
1-[4-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylethanamine
CID 102947408
5-(5-bromo-2-methoxyphenoxy)pentan-1-ol
CID 155928755
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol (CID 102947337) is 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol is CNC(C)c1ccc(Br)cc1OCCCCCO.
What is the InChIKey of 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol?
The InChIKey is SLWPVZCAOSANHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-11(16-2)13-7-6-12(15)10-14(13)18-9-5-3-4-8-17/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3.
What are the key properties of 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol?
5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol has a molecular weight of 316.24 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 102947337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).