N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine

C14H14BrNOS — CID 54895688

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESBrc1ccc(CNCC2Cc3ccccc3O2)s1
InChIInChI=1S/C14H14BrNOS/c15-14-6-5-12(18-14)9-16-8-11-7-10-3-1-2-4-13(10)17-11/h1-6,11,16H,7-9H2
InChIKeyVSIDZYHBOYZYOU-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.60
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 54895688) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID54895688
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESBrc1ccc(CNCC2Cc3ccccc3O2)s1
InChIInChI=1S/C14H14BrNOS/c15-14-6-5-12(18-14)9-16-8-11-7-10-3-1-2-4-13(10)17-11/h1-6,11,16H,7-9H2
InChIKeyVSIDZYHBOYZYOU-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66394141
5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675503
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 39237368
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 62998098
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 83230829
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62338719
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 54895688) is N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine is Brc1ccc(CNCC2Cc3ccccc3O2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is VSIDZYHBOYZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-14-6-5-12(18-14)9-16-8-11-7-10-3-1-2-4-13(10)17-11/h1-6,11,16H,7-9H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 324.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 54895688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).