1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine

C16H18BrNO2 — CID 62336542

IUPAC1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cccc(Oc2cc(Br)ccc2CNC)c1
InChIInChI=1S/C16H18BrNO2/c1-3-19-14-5-4-6-15(10-14)20-16-9-13(17)8-7-12(16)11-18-2/h4-10,18H,3,11H2,1-2H3
InChIKeyBGKBJCYFRCTPQN-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.36
Rot. Bonds6

About 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine

1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine (PubChem CID 62336542) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine
PubChem CID62336542
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cccc(Oc2cc(Br)ccc2CNC)c1
InChIInChI=1S/C16H18BrNO2/c1-3-19-14-5-4-6-15(10-14)20-16-9-13(17)8-7-12(16)11-18-2/h4-10,18H,3,11H2,1-2H3
InChIKeyBGKBJCYFRCTPQN-UHFFFAOYSA-N
XLogP4.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-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

4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283242
1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282787
1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
CID 43282407
4-bromo-2-(3-ethoxyphenoxy)benzenecarbothioamide
CID 114903739
1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine
CID 114061865
N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282741
1-bromo-3-ethoxybenzene;ethane
CID 143900364
1-[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61031660
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine (CID 62336542) is 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine is CCOc1cccc(Oc2cc(Br)ccc2CNC)c1.
What is the InChIKey of 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is BGKBJCYFRCTPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-3-19-14-5-4-6-15(10-14)20-16-9-13(17)8-7-12(16)11-18-2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine?
1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 336.23 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62336542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).