(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine

C13H16BrNO — CID 107287741

IUPAC(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2c(C)ccc(Br)c12
InChIInChI=1S/C13H16BrNO/c1-3-4-9-11(7-15)16-13-8(2)5-6-10(14)12(9)13/h5-6H,3-4,7,15H2,1-2H3
InChIKeyGUXPKPSPHMRGFM-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.91
Rot. Bonds3

About (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine

(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine (PubChem CID 107287741) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine
PubChem CID107287741
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2c(C)ccc(Br)c12
InChIInChI=1S/C13H16BrNO/c1-3-4-9-11(7-15)16-13-8(2)5-6-10(14)12(9)13/h5-6H,3-4,7,15H2,1-2H3
InChIKeyGUXPKPSPHMRGFM-UHFFFAOYSA-N
XLogP3.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
CID 114376595
(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
CID 114270956
[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375860
N-[(4-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 107287762
N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 102990772
4-bromo-7-chloro-3-propyl-1-benzofuran-2-carboxylic acid
CID 114359144
N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376870
(2,2-dimethyl-6-propyl-3H-furo[3,2-g][1]benzofuran-7-yl)methanamine
CID 114376197
(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 62381054
(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 81049217
1-bromo-3,4-dimethyl-2-octylbenzene
CID 174984936
N-[(4-bromo-7-chloro-3-ethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 113459863

Frequently Asked Questions

What is the IUPAC name of (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine (CID 107287741) is (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine is CCCc1c(CN)oc2c(C)ccc(Br)c12.
What is the InChIKey of (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine?
The InChIKey is GUXPKPSPHMRGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-3-4-9-11(7-15)16-13-8(2)5-6-10(14)12(9)13/h5-6H,3-4,7,15H2,1-2H3.
What are the key properties of (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine?
(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine has a molecular weight of 282.18 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 107287741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).