1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine

C10H17BrN2O — CID 106885776

IUPAC1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1occc1Br
InChIInChI=1S/C10H17BrN2O/c1-7(2)6-13-9(5-12)10-8(11)3-4-14-10/h3-4,7,9,13H,5-6,12H2,1-2H3
InChIKeyRFSOVQZYDVDZRJ-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.29
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine

1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 106885776) has the molecular formula C10H17BrN2O and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID106885776
Molecular FormulaC10H17BrN2O
Molecular Weight261.16 g/mol
Exact Mass260.05
IUPAC Name1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1occc1Br
InChIInChI=1S/C10H17BrN2O/c1-7(2)6-13-9(5-12)10-8(11)3-4-14-10/h3-4,7,9,13H,5-6,12H2,1-2H3
InChIKeyRFSOVQZYDVDZRJ-UHFFFAOYSA-N
XLogP2.29
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 106885701
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
1-(5-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385832
1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65384977
3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
CID 106889652
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
[1-(3-bromofuran-2-yl)-3-methylpentyl]hydrazine
CID 105309164
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 115709548
1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 106885776) is 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNC(CN)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is RFSOVQZYDVDZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O/c1-7(2)6-13-9(5-12)10-8(11)3-4-14-10/h3-4,7,9,13H,5-6,12H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 261.16 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 106885776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).