(4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine

C13H14BrNO — CID 107287182

IUPAC(4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine
SMILESCc1ccc(Br)c2cc(C(N)C3CC3)oc12
InChIInChI=1S/C13H14BrNO/c1-7-2-5-10(14)9-6-11(16-13(7)9)12(15)8-3-4-8/h2,5-6,8,12H,3-4,15H2,1H3
InChIKeyXBUCHJHYKIGHRL-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.91
Rot. Bonds2

About (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine

(4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine (PubChem CID 107287182) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine
PubChem CID107287182
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name(4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine
SMILESCc1ccc(Br)c2cc(C(N)C3CC3)oc12
InChIInChI=1S/C13H14BrNO/c1-7-2-5-10(14)9-6-11(16-13(7)9)12(15)8-3-4-8/h2,5-6,8,12H,3-4,15H2,1H3
InChIKeyXBUCHJHYKIGHRL-UHFFFAOYSA-N
XLogP3.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine
CID 65439100
(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine
CID 131503128
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185
(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104988213
(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine
CID 130707882
4-bromo-7-methyl-1-benzofuran-2-carboxylic acid
CID 84729253
(R)-(5-bromofuran-2-yl)-cyclopropylmethanamine;hydrochloride
CID 171200042
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104987996
(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine
CID 79597275
(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine
CID 131080956
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825

Frequently Asked Questions

What is the IUPAC name of (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine?
The IUPAC name of (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine (CID 107287182) is (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine.
What is the SMILES notation for (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine?
The canonical SMILES for (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine is Cc1ccc(Br)c2cc(C(N)C3CC3)oc12.
What is the InChIKey of (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine?
The InChIKey is XBUCHJHYKIGHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-7-2-5-10(14)9-6-11(16-13(7)9)12(15)8-3-4-8/h2,5-6,8,12H,3-4,15H2,1H3.
What are the key properties of (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine?
(4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine has a molecular weight of 280.16 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanamine is sourced from PubChem (CID 107287182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).