N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine

C10H16BrNO — CID 115704758

IUPACN-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1occc1Br
InChIInChI=1S/C10H16BrNO/c1-7(2)6-12-8(3)10-9(11)4-5-13-10/h4-5,7-8,12H,6H2,1-3H3
InChIKeyYJRFBGOFJRUHEZ-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.35
Rot. Bonds4

About N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine

N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 115704758) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
PubChem CID115704758
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1occc1Br
InChIInChI=1S/C10H16BrNO/c1-7(2)6-12-8(3)10-9(11)4-5-13-10/h4-5,7-8,12H,6H2,1-3H3
InChIKeyYJRFBGOFJRUHEZ-UHFFFAOYSA-N
XLogP3.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-methylpropyl)ethane-1,2-diamine
CID 106885776
1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 115709548
1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 115705879
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188
1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine
CID 115727604
1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910
1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol
CID 115927552
N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine
CID 115894694
3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine
CID 81019380

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine (CID 115704758) is N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine is CC(C)CNC(C)c1occc1Br.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is YJRFBGOFJRUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-7(2)6-12-8(3)10-9(11)4-5-13-10/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine?
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 246.15 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115704758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).