N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline

C15H19BrN2O2 — CID 103818527

IUPACN-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1cccc(NCc2occc2Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-18(2)7-9-19-13-5-3-4-12(10-13)17-11-15-14(16)6-8-20-15/h3-6,8,10,17H,7,9,11H2,1-2H3
InChIKeyQQSOKQZDKJOUBK-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.59
Rot. Bonds7

About N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline

N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline (PubChem CID 103818527) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
PubChem CID103818527
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1cccc(NCc2occc2Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-18(2)7-9-19-13-5-3-4-12(10-13)17-11-15-14(16)6-8-20-15/h3-6,8,10,17H,7,9,11H2,1-2H3
InChIKeyQQSOKQZDKJOUBK-UHFFFAOYSA-N
XLogP3.59
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 103817901
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720825
3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328048
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline (CID 103818527) is N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline is CN(C)CCOc1cccc(NCc2occc2Br)c1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is QQSOKQZDKJOUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-18(2)7-9-19-13-5-3-4-12(10-13)17-11-15-14(16)6-8-20-15/h3-6,8,10,17H,7,9,11H2,1-2H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 339.23 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 103818527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).