N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline

C15H19BrN2OS — CID 43720906

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1cccc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C15H19BrN2OS/c1-18(2)6-7-19-14-5-3-4-13(9-14)17-10-15-8-12(16)11-20-15/h3-5,8-9,11,17H,6-7,10H2,1-2H3
InChIKeyAHZQOVSOIALBOV-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.06
Rot. Bonds7

About N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline

N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline (PubChem CID 43720906) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
PubChem CID43720906
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1cccc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C15H19BrN2OS/c1-18(2)6-7-19-14-5-3-4-13(9-14)17-10-15-8-12(16)11-20-15/h3-5,8-9,11,17H,6-7,10H2,1-2H3
InChIKeyAHZQOVSOIALBOV-UHFFFAOYSA-N
XLogP4.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
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-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
N-[(4-chlorothiophen-2-yl)methyl]-3-ethoxyaniline
CID 79420606
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline (CID 43720906) is N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline is CN(C)CCOc1cccc(NCc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is AHZQOVSOIALBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-18(2)6-7-19-14-5-3-4-13(9-14)17-10-15-8-12(16)11-20-15/h3-5,8-9,11,17H,6-7,10H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline?
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 355.30 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 43720906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).