1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine

C16H16Br3NO — CID 107979922

IUPAC1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2cc(Br)cc(Br)c2)cc1Br
InChIInChI=1S/C16H16Br3NO/c1-3-21-15-5-4-10(8-14(15)19)16(20-2)11-6-12(17)9-13(18)7-11/h4-9,16,20H,3H2,1-2H3
InChIKeyQPMWEEYEUKJYJA-UHFFFAOYSA-N
MW478.02 g/mol
LogP5.68
Rot. Bonds5

About 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine

1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine (PubChem CID 107979922) has the molecular formula C16H16Br3NO and a molecular weight of 478.02 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
PubChem CID107979922
Molecular FormulaC16H16Br3NO
Molecular Weight478.02 g/mol
Exact Mass474.88
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2cc(Br)cc(Br)c2)cc1Br
InChIInChI=1S/C16H16Br3NO/c1-3-21-15-5-4-10(8-14(15)19)16(20-2)11-6-12(17)9-13(18)7-11/h4-9,16,20H,3H2,1-2H3
InChIKeyQPMWEEYEUKJYJA-UHFFFAOYSA-N
XLogP5.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.02
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
1-(3-bromo-4-ethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 104657467
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 104657472
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492
1-(3-bromo-4-ethoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 104657513
1-(3-bromo-4-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 104657460
1-(3-bromo-4-ethoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107961340
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019
1-bromo-3-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-5-fluorobenzene
CID 104661793

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine (CID 107979922) is 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine is CCOc1ccc(C(NC)c2cc(Br)cc(Br)c2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine?
The InChIKey is QPMWEEYEUKJYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br3NO/c1-3-21-15-5-4-10(8-14(15)19)16(20-2)11-6-12(17)9-13(18)7-11/h4-9,16,20H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine?
1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine has a molecular weight of 478.02 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine is sourced from PubChem (CID 107979922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).