N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine

C15H16BrNO2 — CID 43489829

IUPACN-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO2/c1-2-17-15(13-5-6-14(16)19-13)11-3-4-12-10(9-11)7-8-18-12/h3-6,9,15,17H,2,7-8H2,1H3
InChIKeyYTTUMSMPBZSRLR-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.68
Rot. Bonds4

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

N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine (PubChem CID 43489829) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
PubChem CID43489829
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO2/c1-2-17-15(13-5-6-14(16)19-13)11-3-4-12-10(9-11)7-8-18-12/h3-6,9,15,17H,2,7-8H2,1H3
InChIKeyYTTUMSMPBZSRLR-UHFFFAOYSA-N
XLogP3.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 107981919
N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 79981650
N-[(3-chloro-4-iodophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 103216192
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957
N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 43489895
N-[2,3-dihydro-1-benzofuran-5-yl(2H-triazol-4-yl)methyl]ethanamine
CID 113425125
[2,3-dihydro-1-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105333898

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine (CID 43489829) is N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCO2)c1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The InChIKey is YTTUMSMPBZSRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-2-17-15(13-5-6-14(16)19-13)11-3-4-12-10(9-11)7-8-18-12/h3-6,9,15,17H,2,7-8H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine has a molecular weight of 322.20 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 43489829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).