1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine

C18H18BrNO — CID 63504432

IUPAC1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCCc1oc2ccccc2c1C(NC)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO/c1-3-15-17(14-6-4-5-7-16(14)21-15)18(20-2)12-8-10-13(19)11-9-12/h4-11,18,20H,3H2,1-2H3
InChIKeyDUNCTIQMDRLQRR-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.07
Rot. Bonds4

About 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine

1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine (PubChem CID 63504432) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine
PubChem CID63504432
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCCc1oc2ccccc2c1C(NC)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO/c1-3-15-17(14-6-4-5-7-16(14)21-15)18(20-2)12-8-10-13(19)11-9-12/h4-11,18,20H,3H2,1-2H3
InChIKeyDUNCTIQMDRLQRR-UHFFFAOYSA-N
XLogP5.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine (CID 63504432) is 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine is CCc1oc2ccccc2c1C(NC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine?
The InChIKey is DUNCTIQMDRLQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-3-15-17(14-6-4-5-7-16(14)21-15)18(20-2)12-8-10-13(19)11-9-12/h4-11,18,20H,3H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine has a molecular weight of 344.25 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 63504432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).