1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine

C13H23BrN2O — CID 79055906

IUPAC1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1occc1Br
InChIInChI=1S/C13H23BrN2O/c1-6-16(7-2)13(3,4)12(15-5)11-10(14)8-9-17-11/h8-9,12,15H,6-7H2,1-5H3
InChIKeyWSJFQDBQYCSWOV-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.42
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine

1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 79055906) has the molecular formula C13H23BrN2O and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
PubChem CID79055906
Molecular FormulaC13H23BrN2O
Molecular Weight303.24 g/mol
Exact Mass302.10
IUPAC Name1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1occc1Br
InChIInChI=1S/C13H23BrN2O/c1-6-16(7-2)13(3,4)12(15-5)11-10(14)8-9-17-11/h8-9,12,15H,6-7H2,1-5H3
InChIKeyWSJFQDBQYCSWOV-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 63941875
2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79056752
1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine
CID 130621385
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
CID 115927326
1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053885
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79052774
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309
1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine
CID 79055999
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79047766

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine (CID 79055906) is 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine is CCN(CC)C(C)(C)C(NC)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is WSJFQDBQYCSWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O/c1-6-16(7-2)13(3,4)12(15-5)11-10(14)8-9-17-11/h8-9,12,15H,6-7H2,1-5H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 303.24 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79055906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).