N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline

C16H21BrN2O2 — CID 104652524

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
SMILESCC(Nc1cccc(OCCN(C)C)c1)c1ccc(Br)o1
InChIInChI=1S/C16H21BrN2O2/c1-12(15-7-8-16(17)21-15)18-13-5-4-6-14(11-13)20-10-9-19(2)3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyUHOXWXNCABMHEO-UHFFFAOYSA-N
MW353.26 g/mol
LogP4.16
Rot. Bonds7

About N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline

N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline (PubChem CID 104652524) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
PubChem CID104652524
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
SMILESCC(Nc1cccc(OCCN(C)C)c1)c1ccc(Br)o1
InChIInChI=1S/C16H21BrN2O2/c1-12(15-7-8-16(17)21-15)18-13-5-4-6-14(11-13)20-10-9-19(2)3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyUHOXWXNCABMHEO-UHFFFAOYSA-N
XLogP4.16
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile
CID 104652526
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757328
3-[2-(dimethylamino)ethoxy]-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43786044
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885
methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
CID 115352749
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906
N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline (CID 104652524) is N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline is CC(Nc1cccc(OCCN(C)C)c1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is UHOXWXNCABMHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-12(15-7-8-16(17)21-15)18-13-5-4-6-14(11-13)20-10-9-19(2)3/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline?
N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 353.26 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 104652524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).