[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine

C16H13BrClNO2 — CID 62486744

IUPAC[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COc2ccc(Br)cc2Cl)oc2ccccc12
InChIInChI=1S/C16H13BrClNO2/c17-10-5-6-15(13(18)7-10)20-9-16-12(8-19)11-3-1-2-4-14(11)21-16/h1-7H,8-9,19H2
InChIKeyHPBSJCPQWHAHDX-UHFFFAOYSA-N
MW366.64 g/mol
LogP4.89
Rot. Bonds4

About [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine

[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62486744) has the molecular formula C16H13BrClNO2 and a molecular weight of 366.64 g/mol. Its IUPAC name is [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID62486744
Molecular FormulaC16H13BrClNO2
Molecular Weight366.64 g/mol
Exact Mass364.98
IUPAC Name[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COc2ccc(Br)cc2Cl)oc2ccccc12
InChIInChI=1S/C16H13BrClNO2/c17-10-5-6-15(13(18)7-10)20-9-16-12(8-19)11-3-1-2-4-14(11)21-16/h1-7H,8-9,19H2
InChIKeyHPBSJCPQWHAHDX-UHFFFAOYSA-N
XLogP4.89
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-bromo-2-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484613
[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 63217029
[3-[(2,5-dichlorophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62450219
[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62452377
[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484970
6-bromo-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one
CID 2121650
[2-[(3-methoxy-3-methylbutoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 106667673
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine
CID 79238776
4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
CID 22503230
[2-(but-2-enoxymethyl)-1-benzofuran-3-yl]methanamine
CID 76943731
2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
CID 55219495

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine (CID 62486744) is [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine is NCc1c(COc2ccc(Br)cc2Cl)oc2ccccc12.
What is the InChIKey of [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is HPBSJCPQWHAHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO2/c17-10-5-6-15(13(18)7-10)20-9-16-12(8-19)11-3-1-2-4-14(11)21-16/h1-7H,8-9,19H2.
What are the key properties of [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 366.64 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62486744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).