N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine

C15H20BrNO — CID 114097362

IUPACN-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
SMILESCCNC(c1occc1Br)C1C2C3CCC(C3)C21
InChIInChI=1S/C15H20BrNO/c1-2-17-14(15-10(16)5-6-18-15)13-11-8-3-4-9(7-8)12(11)13/h5-6,8-9,11-14,17H,2-4,7H2,1H3
InChIKeyVIZVNCKEDRWDNB-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.98
Rot. Bonds4

About N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine

N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine (PubChem CID 114097362) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
PubChem CID114097362
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
SMILESCCNC(c1occc1Br)C1C2C3CCC(C3)C21
InChIInChI=1S/C15H20BrNO/c1-2-17-14(15-10(16)5-6-18-15)13-11-8-3-4-9(7-8)12(11)13/h5-6,8-9,11-14,17H,2-4,7H2,1H3
InChIKeyVIZVNCKEDRWDNB-UHFFFAOYSA-N
XLogP3.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine with MolForge

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Related Compounds

N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861503
N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861255
N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
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
N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097404
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
2-(1-adamantyl)-1-(3-bromofuran-2-yl)-N-ethylethanamine
CID 115861663
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65393949
tert-butyl 3-[(3-bromofuran-2-yl)-(ethylamino)methyl]pyrrolidine-1-carboxylate
CID 107092436
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097372

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine (CID 114097362) is N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine is CCNC(c1occc1Br)C1C2C3CCC(C3)C21.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The InChIKey is VIZVNCKEDRWDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-2-17-14(15-10(16)5-6-18-15)13-11-8-3-4-9(7-8)12(11)13/h5-6,8-9,11-14,17H,2-4,7H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine has a molecular weight of 310.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine is sourced from PubChem (CID 114097362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).