N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine

C17H24BrNO — CID 115861503

IUPACN-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1occc1Br)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H24BrNO/c1-2-19-16(17-14(18)3-4-20-17)15-12-6-10-5-11(8-12)9-13(15)7-10/h3-4,10-13,15-16,19H,2,5-9H2,1H3
InChIKeyIDIZGYCFYDVCFI-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.76
Rot. Bonds4

About N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine

N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine (PubChem CID 115861503) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine
PubChem CID115861503
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1occc1Br)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H24BrNO/c1-2-19-16(17-14(18)3-4-20-17)15-12-6-10-5-11(8-12)9-13(15)7-10/h3-4,10-13,15-16,19H,2,5-9H2,1H3
InChIKeyIDIZGYCFYDVCFI-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097362
N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861255
N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
2-(1-adamantyl)-1-(3-bromofuran-2-yl)-N-ethylethanamine
CID 115861663
N-[2-adamantyl(phenyl)methyl]ethanamine
CID 81098673
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-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029389
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
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

Frequently Asked Questions

What is the IUPAC name of N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine (CID 115861503) is N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine is CCNC(c1occc1Br)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine?
The InChIKey is IDIZGYCFYDVCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-2-19-16(17-14(18)3-4-20-17)15-12-6-10-5-11(8-12)9-13(15)7-10/h3-4,10-13,15-16,19H,2,5-9H2,1H3.
What are the key properties of N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine?
N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine has a molecular weight of 338.29 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 115861503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).