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

C12H14BrNO — CID 114376595

IUPAC(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2c(Br)cccc12
InChIInChI=1S/C12H14BrNO/c1-2-4-8-9-5-3-6-10(13)12(9)15-11(8)7-14/h3,5-6H,2,4,7,14H2,1H3
InChIKeyZHIYZBPRVWSJMU-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.61
Rot. Bonds3

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

(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine (PubChem CID 114376595) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
PubChem CID114376595
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2c(Br)cccc12
InChIInChI=1S/C12H14BrNO/c1-2-4-8-9-5-3-6-10(13)12(9)15-11(8)7-14/h3,5-6H,2,4,7,14H2,1H3
InChIKeyZHIYZBPRVWSJMU-UHFFFAOYSA-N
XLogP3.61
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 81049217
(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 107287741
(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
CID 114270956
(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 62381054
(9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine
CID 104843123
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376467
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
1-bromonaphthalene;methanamine
CID 143041720
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
CID 114375977
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
1-bromo-3-(3-bromo-2-propylphenoxy)-2-propylbenzene
CID 172704493
CID 160937062
CID 160937062

Frequently Asked Questions

What is the IUPAC name of (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine (CID 114376595) is (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine is CCCc1c(CN)oc2c(Br)cccc12.
What is the InChIKey of (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine?
The InChIKey is ZHIYZBPRVWSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-2-4-8-9-5-3-6-10(13)12(9)15-11(8)7-14/h3,5-6H,2,4,7,14H2,1H3.
What are the key properties of (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine?
(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine has a molecular weight of 268.15 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-3-propyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114376595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).