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

C14H22BrNO2 — CID 104653064

IUPAC1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C14H22BrNO2/c1-11(12-6-7-13(15)18-12)16-10-14(17)8-4-2-3-5-9-14/h6-7,11,16-17H,2-5,8-10H2,1H3
InChIKeyGJIDBOHDPLBDLK-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.78
Rot. Bonds4

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

1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 104653064) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID104653064
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C14H22BrNO2/c1-11(12-6-7-13(15)18-12)16-10-14(17)8-4-2-3-5-9-14/h6-7,11,16-17H,2-5,8-10H2,1H3
InChIKeyGJIDBOHDPLBDLK-UHFFFAOYSA-N
XLogP3.78
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
(1S)-1-(5-bromofuran-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]ethanamine
CID 99837811
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65116819
2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113437563
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 104653257
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105321

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol (CID 104653064) is 1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol is CC(NCC1(O)CCCCCC1)c1ccc(Br)o1.
What is the InChIKey of 1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is GJIDBOHDPLBDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-11(12-6-7-13(15)18-12)16-10-14(17)8-4-2-3-5-9-14/h6-7,11,16-17H,2-5,8-10H2,1H3.
What are the key properties of 1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 316.24 g/mol, XLogP of 3.78, 4 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]methyl]cycloheptan-1-ol is sourced from PubChem (CID 104653064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).