1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol

C14H21Br2NO2 — CID 65115953

IUPAC1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C14H21Br2NO2/c1-2-10-3-5-14(18,6-4-10)9-17-8-11-7-12(15)13(16)19-11/h7,10,17-18H,2-6,8-9H2,1H3
InChIKeyYATXQOPIEMUWPL-UHFFFAOYSA-N
MW395.14 g/mol
LogP4.23
Rot. Bonds5

About 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol

1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65115953) has the molecular formula C14H21Br2NO2 and a molecular weight of 395.14 g/mol. Its IUPAC name is 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65115953
Molecular FormulaC14H21Br2NO2
Molecular Weight395.14 g/mol
Exact Mass392.99
IUPAC Name1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C14H21Br2NO2/c1-2-10-3-5-14(18,6-4-10)9-17-8-11-7-12(15)13(16)19-11/h7,10,17-18H,2-6,8-9H2,1H3
InChIKeyYATXQOPIEMUWPL-UHFFFAOYSA-N
XLogP4.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116216
1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 102836147
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
1-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106263515
1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414898
4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 65115940
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
1-[[(2-chloro-4-methylphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106862776
4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116465
1-[[(5-bromofuran-2-yl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116857
4-ethyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555851

Frequently Asked Questions

What is the IUPAC name of 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol (CID 65115953) is 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNCc2cc(Br)c(Br)o2)CC1.
What is the InChIKey of 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is YATXQOPIEMUWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO2/c1-2-10-3-5-14(18,6-4-10)9-17-8-11-7-12(15)13(16)19-11/h7,10,17-18H,2-6,8-9H2,1H3.
What are the key properties of 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 395.14 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65115953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).