N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

C14H18BrNO — CID 107287166

IUPACN-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Br)c2cc(CNCC(C)C)oc12
InChIInChI=1S/C14H18BrNO/c1-9(2)7-16-8-11-6-12-13(15)5-4-10(3)14(12)17-11/h4-6,9,16H,7-8H2,1-3H3
InChIKeyXPQZYXUTDPMVFU-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.25
Rot. Bonds4

About N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 107287166) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID107287166
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Br)c2cc(CNCC(C)C)oc12
InChIInChI=1S/C14H18BrNO/c1-9(2)7-16-8-11-6-12-13(15)5-4-10(3)14(12)17-11/h4-6,9,16H,7-8H2,1-3H3
InChIKeyXPQZYXUTDPMVFU-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-4,7-dichloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 107662163
N-[(7-bromo-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438810
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 17056318
N-[(4,6-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65439958
N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440938
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 115402991
N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438424
N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65440562
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
N-[(7-bromo-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81048826
N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81037510

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 107287166) is N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is Cc1ccc(Br)c2cc(CNCC(C)C)oc12.
What is the InChIKey of N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is XPQZYXUTDPMVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9(2)7-16-8-11-6-12-13(15)5-4-10(3)14(12)17-11/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 296.21 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107287166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).