2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine

C14H23BrN2O2 — CID 43622229

IUPAC2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(Br)cc(CN)cc1OC
InChIInChI=1S/C14H23BrN2O2/c1-4-17(5-2)6-7-19-14-12(15)8-11(10-16)9-13(14)18-3/h8-9H,4-7,10,16H2,1-3H3
InChIKeyRIIBNXSEPCOZPW-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.64
Rot. Bonds8

About 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine

2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine (PubChem CID 43622229) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine
PubChem CID43622229
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(Br)cc(CN)cc1OC
InChIInChI=1S/C14H23BrN2O2/c1-4-17(5-2)6-7-19-14-12(15)8-11(10-16)9-13(14)18-3/h8-9H,4-7,10,16H2,1-3H3
InChIKeyRIIBNXSEPCOZPW-UHFFFAOYSA-N
XLogP2.64
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine 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

3-bromo-4-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 3024523
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
[3-bromo-4-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 54856586
5-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]pentan-1-ol
CID 55053052
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
1-bromo-5-(bromomethyl)-2-(3-fluoropropoxy)-3-methoxybenzene
CID 81114817
1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
CID 43622794
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 63776382
[3-bromo-4-(3-imidazol-1-ylpropoxy)-5-methoxyphenyl]methanamine
CID 61494999
[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60889264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine (CID 43622229) is 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1c(Br)cc(CN)cc1OC.
What is the InChIKey of 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine?
The InChIKey is RIIBNXSEPCOZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-4-17(5-2)6-7-19-14-12(15)8-11(10-16)9-13(14)18-3/h8-9H,4-7,10,16H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine?
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine has a molecular weight of 331.25 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 43622229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).