2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol

C13H20BrNO2 — CID 113437563

IUPAC2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1ccc(Br)o1
InChIInChI=1S/C13H20BrNO2/c1-9(12-6-7-13(14)17-12)15-8-10-4-2-3-5-11(10)16/h6-7,9-11,15-16H,2-5,8H2,1H3
InChIKeyNINFUGUJFZWUKS-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.24
Rot. Bonds4

About 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol

2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 113437563) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID113437563
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1ccc(Br)o1
InChIInChI=1S/C13H20BrNO2/c1-9(12-6-7-13(14)17-12)15-8-10-4-2-3-5-11(10)16/h6-7,9-11,15-16H,2-5,8H2,1H3
InChIKeyNINFUGUJFZWUKS-UHFFFAOYSA-N
XLogP3.24
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 107094347
N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104653000
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 64927505
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 107094355
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
N-[1-(5-bromofuran-2-yl)ethyl]cyclobutanamine
CID 104652955
1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 104653064
2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175069255
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 114615383

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 113437563) is 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCCCC1O)c1ccc(Br)o1.
What is the InChIKey of 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is NINFUGUJFZWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-9(12-6-7-13(14)17-12)15-8-10-4-2-3-5-11(10)16/h6-7,9-11,15-16H,2-5,8H2,1H3.
What are the key properties of 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 113437563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).