N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine

C17H20BrNO — CID 107126566

IUPACN-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)C1CCc2ccccc2C1
InChIInChI=1S/C17H20BrNO/c1-2-19-17(15-9-10-16(18)20-15)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,9-10,14,17,19H,2,7-8,11H2,1H3
InChIKeyOSODGYFFPXENIR-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.50
Rot. Bonds4

About N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine

N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine (PubChem CID 107126566) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
PubChem CID107126566
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)C1CCc2ccccc2C1
InChIInChI=1S/C17H20BrNO/c1-2-19-17(15-9-10-16(18)20-15)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,9-10,14,17,19H,2,7-8,11H2,1H3
InChIKeyOSODGYFFPXENIR-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528
N-[(2,5-dimethylfuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126538
1-(5-bromofuran-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892781
N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126541
N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989489
N-[(2-ethylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 65404205
N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009872
N-[2,3-dihydro-1H-inden-2-yl(furan-2-yl)methyl]ethanamine
CID 65411125
2-cyclobutyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65458172
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine
CID 65405177
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine (CID 107126566) is N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)o1)C1CCc2ccccc2C1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
The InChIKey is OSODGYFFPXENIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-19-17(15-9-10-16(18)20-15)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,9-10,14,17,19H,2,7-8,11H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107126566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).