N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline

C15H19BrN2O — CID 104652692

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
SMILESCC(Nc1ccc(CN(C)C)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H19BrN2O/c1-11(14-8-9-15(16)19-14)17-13-6-4-12(5-7-13)10-18(2)3/h4-9,11,17H,10H2,1-3H3
InChIKeyQMQANGLGWUPXNJ-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.28
Rot. Bonds5

About N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline

N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline (PubChem CID 104652692) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
PubChem CID104652692
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
SMILESCC(Nc1ccc(CN(C)C)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H19BrN2O/c1-11(14-8-9-15(16)19-14)17-13-6-4-12(5-7-13)10-18(2)3/h4-9,11,17H,10H2,1-3H3
InChIKeyQMQANGLGWUPXNJ-UHFFFAOYSA-N
XLogP4.28
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline 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-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
CID 113437452
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
4-[1-(5-bromofuran-2-yl)ethylamino]benzonitrile
CID 104652084
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline
CID 43747152
N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 43747251
2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
CID 104652472
N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 104652524
N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine
CID 104653126
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline (CID 104652692) is N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline is CC(Nc1ccc(CN(C)C)cc1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline?
The InChIKey is QMQANGLGWUPXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-11(14-8-9-15(16)19-14)17-13-6-4-12(5-7-13)10-18(2)3/h4-9,11,17H,10H2,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline?
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline has a molecular weight of 323.23 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 104652692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).