N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine

C11H18BrNO — CID 104652004

IUPACN-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C11H18BrNO/c1-4-5-8(2)13-9(3)10-6-7-11(12)14-10/h6-9,13H,4-5H2,1-3H3
InChIKeyOHLCBZWMXVNEQP-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine

N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine (PubChem CID 104652004) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
PubChem CID104652004
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C11H18BrNO/c1-4-5-8(2)13-9(3)10-6-7-11(12)14-10/h6-9,13H,4-5H2,1-3H3
InChIKeyOHLCBZWMXVNEQP-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]hexan-2-amine
CID 104652943
N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
CID 104652938
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
N-[1-(5-bromofuran-2-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 104652485
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 113437510
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029
(3R)-3-[1-(5-ethylfuran-2-yl)ethylamino]butan-1-ol
CID 103871772
methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
CID 104652541

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine (CID 104652004) is N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine?
The InChIKey is OHLCBZWMXVNEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-4-5-8(2)13-9(3)10-6-7-11(12)14-10/h6-9,13H,4-5H2,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine?
N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine has a molecular weight of 260.17 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 104652004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).