1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine

C17H18BrNO — CID 61003691

IUPAC1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
SMILESCC(NCC1Cc2ccccc2O1)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO/c1-12(13-6-4-7-15(18)9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3
InChIKeyOHYVYKOIJGPJCK-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.10
Rot. Bonds4

About 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine

1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine (PubChem CID 61003691) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
PubChem CID61003691
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
SMILESCC(NCC1Cc2ccccc2O1)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO/c1-12(13-6-4-7-15(18)9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3
InChIKeyOHYVYKOIJGPJCK-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365797
(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81367322
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
1-(4-bromo-2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 82777884
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370641
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
1-(3-fluorophenyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361926
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline
CID 66348972
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine (CID 61003691) is 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine is CC(NCC1Cc2ccccc2O1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The InChIKey is OHYVYKOIJGPJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12(13-6-4-7-15(18)9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine has a molecular weight of 332.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine is sourced from PubChem (CID 61003691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).