N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine

C13H15BrN2O2 — CID 104653126

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine
SMILESCCOc1ccc(NC(C)c2ccc(Br)o2)cn1
InChIInChI=1S/C13H15BrN2O2/c1-3-17-13-7-4-10(8-15-13)16-9(2)11-5-6-12(14)18-11/h4-9,16H,3H2,1-2H3
InChIKeyHMIOKHCCJWJAFD-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine

N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine (PubChem CID 104653126) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine
PubChem CID104653126
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine
SMILESCCOc1ccc(NC(C)c2ccc(Br)o2)cn1
InChIInChI=1S/C13H15BrN2O2/c1-3-17-13-7-4-10(8-15-13)16-9(2)11-5-6-12(14)18-11/h4-9,16H,3H2,1-2H3
InChIKeyHMIOKHCCJWJAFD-UHFFFAOYSA-N
XLogP4.01
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
CID 113437452
6-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]pyridin-3-amine
CID 102613263
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
6-ethoxy-N-(1-ethoxypropan-2-yl)pyridin-3-amine
CID 115922413
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
CID 104652472
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine
CID 114281851
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692
4-[1-(5-bromofuran-2-yl)ethylamino]benzonitrile
CID 104652084
2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile
CID 104652526
N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 104652524

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine (CID 104653126) is N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine is CCOc1ccc(NC(C)c2ccc(Br)o2)cn1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine?
The InChIKey is HMIOKHCCJWJAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-17-13-7-4-10(8-15-13)16-9(2)11-5-6-12(14)18-11/h4-9,16H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine has a molecular weight of 311.18 g/mol, XLogP of 4.01, 5 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]-6-ethoxypyridin-3-amine is sourced from PubChem (CID 104653126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).