N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine

C16H21BrN2OS — CID 62462077

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine
SMILESCNCc1ccc(OCCN(C)Cc2csc(Br)c2)cc1
InChIInChI=1S/C16H21BrN2OS/c1-18-10-13-3-5-15(6-4-13)20-8-7-19(2)11-14-9-16(17)21-12-14/h3-6,9,12,18H,7-8,10-11H2,1-2H3
InChIKeyKMWWWQIOQJRNFG-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.74
Rot. Bonds8

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine (PubChem CID 62462077) has the molecular formula C16H21BrN2OS and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine
PubChem CID62462077
Molecular FormulaC16H21BrN2OS
Molecular Weight369.33 g/mol
Exact Mass368.06
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine
SMILESCNCc1ccc(OCCN(C)Cc2csc(Br)c2)cc1
InChIInChI=1S/C16H21BrN2OS/c1-18-10-13-3-5-15(6-4-13)20-8-7-19(2)11-14-9-16(17)21-12-14/h3-6,9,12,18H,7-8,10-11H2,1-2H3
InChIKeyKMWWWQIOQJRNFG-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine 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

N-[(5-bromothiophen-3-yl)methyl]-2,6-difluoro-N-methyl-4-(methylaminomethyl)aniline
CID 63076277
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148561
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62037153
1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462608
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
N-[(5-bromothiophen-3-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 61394479
1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62461546
1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62784164
4-[(5-bromothiophen-3-yl)methoxy]-N-methylaniline
CID 61026935
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine (CID 62462077) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine is CNCc1ccc(OCCN(C)Cc2csc(Br)c2)cc1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine?
The InChIKey is KMWWWQIOQJRNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2OS/c1-18-10-13-3-5-15(6-4-13)20-8-7-19(2)11-14-9-16(17)21-12-14/h3-6,9,12,18H,7-8,10-11H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine has a molecular weight of 369.33 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine is sourced from PubChem (CID 62462077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).