1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol

C13H22BrNO2 — CID 107093693

IUPAC1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol
SMILESCC(NCC(O)CC(C)(C)C)c1ccc(Br)o1
InChIInChI=1S/C13H22BrNO2/c1-9(11-5-6-12(14)17-11)15-8-10(16)7-13(2,3)4/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKeyHLPZLLXWNLGVOE-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.49
Rot. Bonds5

About 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol

1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol (PubChem CID 107093693) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol
PubChem CID107093693
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol
SMILESCC(NCC(O)CC(C)(C)C)c1ccc(Br)o1
InChIInChI=1S/C13H22BrNO2/c1-9(11-5-6-12(14)17-11)15-8-10(16)7-13(2,3)4/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKeyHLPZLLXWNLGVOE-UHFFFAOYSA-N
XLogP3.49
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
CID 104653027
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
1-N-[1-(5-bromofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104652133
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 114615383
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 107094355
4,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 103717034
1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 103522246
4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
CID 114331426
4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
CID 103784440

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol (CID 107093693) is 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol is CC(NCC(O)CC(C)(C)C)c1ccc(Br)o1.
What is the InChIKey of 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is HLPZLLXWNLGVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-9(11-5-6-12(14)17-11)15-8-10(16)7-13(2,3)4/h5-6,9-10,15-16H,7-8H2,1-4H3.
What are the key properties of 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol?
1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 304.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107093693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).