2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol

C15H24BrNO4 — CID 115671182

IUPAC2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
SMILESCOCCOCCCCNCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C15H24BrNO4/c1-19-7-8-21-6-4-3-5-17-11-12-9-13(16)15(18)14(10-12)20-2/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyJYCPEAADVYQPNX-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.70
Rot. Bonds11

About 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol

2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol (PubChem CID 115671182) has the molecular formula C15H24BrNO4 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
PubChem CID115671182
Molecular FormulaC15H24BrNO4
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
SMILESCOCCOCCCCNCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C15H24BrNO4/c1-19-7-8-21-6-4-3-5-17-11-12-9-13(16)15(18)14(10-12)20-2/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyJYCPEAADVYQPNX-UHFFFAOYSA-N
XLogP2.70
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[[3-(cyclopropylmethoxy)propylamino]methyl]-6-methoxyphenol
CID 28718642
2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol
CID 115324827
2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115680060
2-bromo-6-methoxy-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol
CID 60733268
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104625173
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225545
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225544
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 61390555

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol (CID 115671182) is 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol is COCCOCCCCNCc1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol?
The InChIKey is JYCPEAADVYQPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO4/c1-19-7-8-21-6-4-3-5-17-11-12-9-13(16)15(18)14(10-12)20-2/h9-10,17-18H,3-8,11H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol?
2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol has a molecular weight of 362.26 g/mol, XLogP of 2.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol is sourced from PubChem (CID 115671182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).