N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine

C14H20BrNO — CID 115861255

IUPACN-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1occc1Br)C1C2CCCCC21
InChIInChI=1S/C14H20BrNO/c1-2-16-13(14-11(15)7-8-17-14)12-9-5-3-4-6-10(9)12/h7-10,12-13,16H,2-6H2,1H3
InChIKeyITQTXDDQTJSDHC-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.13
Rot. Bonds4

About N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine

N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine (PubChem CID 115861255) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
PubChem CID115861255
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1occc1Br)C1C2CCCCC21
InChIInChI=1S/C14H20BrNO/c1-2-16-13(14-11(15)7-8-17-14)12-9-5-3-4-6-10(9)12/h7-10,12-13,16H,2-6H2,1H3
InChIKeyITQTXDDQTJSDHC-UHFFFAOYSA-N
XLogP4.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097362
N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861503
N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861757
N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 63942450
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
CID 104805664
1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
CID 106858770
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65393949
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine (CID 115861255) is N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine is CCNC(c1occc1Br)C1C2CCCCC21.
What is the InChIKey of N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine?
The InChIKey is ITQTXDDQTJSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-16-13(14-11(15)7-8-17-14)12-9-5-3-4-6-10(9)12/h7-10,12-13,16H,2-6H2,1H3.
What are the key properties of N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine?
N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine has a molecular weight of 298.22 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 115861255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).