1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine

C10H13Br2NO2 — CID 107741642

IUPAC1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCOC)c(Br)c1
InChIInChI=1S/C10H13Br2NO2/c1-13-5-7-3-8(11)10(9(12)4-7)15-6-14-2/h3-4,13H,5-6H2,1-2H3
InChIKeyUROJHJTUOASRPU-UHFFFAOYSA-N
MW339.03 g/mol
LogP2.91
Rot. Bonds5

About 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine

1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine (PubChem CID 107741642) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine
PubChem CID107741642
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCOC)c(Br)c1
InChIInChI=1S/C10H13Br2NO2/c1-13-5-7-3-8(11)10(9(12)4-7)15-6-14-2/h3-4,13H,5-6H2,1-2H3
InChIKeyUROJHJTUOASRPU-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743616
N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107742274
1-[3,5-dibromo-4-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741653
1-[3,5-dibromo-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 107741869
1-[3,5-dibromo-4-(cyclopropylmethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741896
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
1-[3,5-dibromo-4-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741740
1-[3,5-dibromo-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 107741699
N-[[3-bromo-5-methoxy-4-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65365362
1-[3,5-dibromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741708
1-[3,5-dibromo-4-[(2-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741910
1-[3,5-dibromo-4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 107741834

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine (CID 107741642) is 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine is CNCc1cc(Br)c(OCOC)c(Br)c1.
What is the InChIKey of 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine?
The InChIKey is UROJHJTUOASRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c1-13-5-7-3-8(11)10(9(12)4-7)15-6-14-2/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine?
1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine has a molecular weight of 339.03 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107741642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).