1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

C14H18BrNO — CID 65438864

IUPAC1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc2cccc(Br)c2o1)C(C)C
InChIInChI=1S/C14H18BrNO/c1-4-16-13(9(2)3)12-8-10-6-5-7-11(15)14(10)17-12/h5-9,13,16H,4H2,1-3H3
InChIKeyMFOVPYHEFSMGFF-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.50
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 65438864) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID65438864
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc2cccc(Br)c2o1)C(C)C
InChIInChI=1S/C14H18BrNO/c1-4-16-13(9(2)3)12-8-10-6-5-7-11(15)14(10)17-12/h5-9,13,16H,4H2,1-3H3
InChIKeyMFOVPYHEFSMGFF-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 105139336
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169267
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65441173
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184686

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (CID 65438864) is 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc2cccc(Br)c2o1)C(C)C.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is MFOVPYHEFSMGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-4-16-13(9(2)3)12-8-10-6-5-7-11(15)14(10)17-12/h5-9,13,16H,4H2,1-3H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 296.21 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 65438864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).