N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine

C12H20BrNO — CID 104652938

IUPACN-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccc(Br)o1
InChIInChI=1S/C12H20BrNO/c1-4-6-10(5-2)14-9(3)11-7-8-12(13)15-11/h7-10,14H,4-6H2,1-3H3
InChIKeyZITXYGXGJPGHFU-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.27
Rot. Bonds6

About N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine

N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine (PubChem CID 104652938) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
PubChem CID104652938
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccc(Br)o1
InChIInChI=1S/C12H20BrNO/c1-4-6-10(5-2)14-9(3)11-7-8-12(13)15-11/h7-10,14H,4-6H2,1-3H3
InChIKeyZITXYGXGJPGHFU-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
CID 104652004
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
N-[1-(5-bromofuran-2-yl)ethyl]hexan-2-amine
CID 104652943
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
N-[1-(5-bromofuran-2-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 104652485
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080
2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 113437510
N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029
N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
CID 104652645

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine (CID 104652938) is N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine is CCCC(CC)NC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine?
The InChIKey is ZITXYGXGJPGHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-4-6-10(5-2)14-9(3)11-7-8-12(13)15-11/h7-10,14H,4-6H2,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine?
N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine has a molecular weight of 274.20 g/mol, XLogP of 4.27, 6 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]hexan-3-amine is sourced from PubChem (CID 104652938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).