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

C17H16BrNO2 — CID 63217029

IUPAC[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESCc1cc(Br)ccc1OCc1oc2ccccc2c1CN
InChIInChI=1S/C17H16BrNO2/c1-11-8-12(18)6-7-15(11)20-10-17-14(9-19)13-4-2-3-5-16(13)21-17/h2-8H,9-10,19H2,1H3
InChIKeyFUEZWWNLJDZEGC-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.54
Rot. Bonds4

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

[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 63217029) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is [2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID63217029
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESCc1cc(Br)ccc1OCc1oc2ccccc2c1CN
InChIInChI=1S/C17H16BrNO2/c1-11-8-12(18)6-7-15(11)20-10-17-14(9-19)13-4-2-3-5-16(13)21-17/h2-8H,9-10,19H2,1H3
InChIKeyFUEZWWNLJDZEGC-UHFFFAOYSA-N
XLogP4.54
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate
CID 433021
Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate hydrochloride
CID 24199296
[2-Fluoro-3-[2-(methoxymethyl)-5-(prop-1-en-2-yloxymethyl)-1-benzofuran-7-yl]phenyl]methanamine
CID 139576559
[2-Fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine
CID 152512487
[2-(2,2,2-Trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine
CID 62445406
[2-[(2,4-Difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62450373
[2-[(2-Bromo-4-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62451481
1-[2-[(2-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62453004
[2-[(4-Fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62453969
1-[2-[(4-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62454134
[2-[(2-Fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62454918
1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62458875

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine (CID 63217029) is [2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine is Cc1cc(Br)ccc1OCc1oc2ccccc2c1CN.
What is the InChIKey of [2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is FUEZWWNLJDZEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-11-8-12(18)6-7-15(11)20-10-17-14(9-19)13-4-2-3-5-16(13)21-17/h2-8H,9-10,19H2,1H3.
What are the key properties of [2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine?
[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 346.22 g/mol, XLogP of 4.54, 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-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 63217029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).