N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine

C12H21BrN2O — CID 115705879

IUPACN-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)c1occc1Br
InChIInChI=1S/C12H21BrN2O/c1-4-15(5-2)8-7-14-10(3)12-11(13)6-9-16-12/h6,9-10,14H,4-5,7-8H2,1-3H3
InChIKeyYRKKHHXNFDSHLG-UHFFFAOYSA-N
MW289.22 g/mol
LogP3.03
Rot. Bonds7

About N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine

N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 115705879) has the molecular formula C12H21BrN2O and a molecular weight of 289.22 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID115705879
Molecular FormulaC12H21BrN2O
Molecular Weight289.22 g/mol
Exact Mass288.08
IUPAC NameN-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(C)c1occc1Br
InChIInChI=1S/C12H21BrN2O/c1-4-15(5-2)8-7-14-10(3)12-11(13)6-9-16-12/h6,9-10,14H,4-5,7-8H2,1-3H3
InChIKeyYRKKHHXNFDSHLG-UHFFFAOYSA-N
XLogP3.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188
1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910
1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine
CID 130621385
3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine
CID 81019380
2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol
CID 115927552
1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 115709548
2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
CID 115927326
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 62575573
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine (CID 115705879) is N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC(C)c1occc1Br.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is YRKKHHXNFDSHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O/c1-4-15(5-2)8-7-14-10(3)12-11(13)6-9-16-12/h6,9-10,14H,4-5,7-8H2,1-3H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 289.22 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 115705879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).