6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol

C15H24BrNO3 — CID 107702470

IUPAC6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
SMILESCNCc1cc(Br)c(OCCCCCCO)c(OC)c1
InChIInChI=1S/C15H24BrNO3/c1-17-11-12-9-13(16)15(14(10-12)19-2)20-8-6-4-3-5-7-18/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyLZGMNJCTSZOELX-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.11
Rot. Bonds10

About 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol

6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol (PubChem CID 107702470) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
PubChem CID107702470
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
SMILESCNCc1cc(Br)c(OCCCCCCO)c(OC)c1
InChIInChI=1S/C15H24BrNO3/c1-17-11-12-9-13(16)15(14(10-12)19-2)20-8-6-4-3-5-7-18/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyLZGMNJCTSZOELX-UHFFFAOYSA-N
XLogP3.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
5-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]pentan-1-ol
CID 55053052
4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811
1-[3-bromo-5-methoxy-4-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 43622288
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
1-[3-bromo-5-methoxy-4-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449961
1-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63929607
1-[3-bromo-5-methoxy-4-(3-methylbut-2-enoxy)phenyl]-N-methylmethanamine
CID 60887344
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66045193
2-[2-bromo-6-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 55218721
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]ethanol
CID 43622374

Frequently Asked Questions

What is the IUPAC name of 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol (CID 107702470) is 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol is CNCc1cc(Br)c(OCCCCCCO)c(OC)c1.
What is the InChIKey of 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol?
The InChIKey is LZGMNJCTSZOELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-17-11-12-9-13(16)15(14(10-12)19-2)20-8-6-4-3-5-7-18/h9-10,17-18H,3-8,11H2,1-2H3.
What are the key properties of 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol?
6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol has a molecular weight of 346.27 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol is sourced from PubChem (CID 107702470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).