1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine

C14H12BrNO2 — CID 105147059

IUPAC1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H12BrNO2/c1-16-13(11-6-3-7-17-11)12-8-9-4-2-5-10(15)14(9)18-12/h2-8,13,16H,1H3
InChIKeyIYXRPGVDUYERFO-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.10
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine

1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 105147059) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID105147059
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H12BrNO2/c1-16-13(11-6-3-7-17-11)12-8-9-4-2-5-10(15)14(9)18-12/h2-8,13,16H,1H3
InChIKeyIYXRPGVDUYERFO-UHFFFAOYSA-N
XLogP4.10
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097290
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840358
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105162184
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105109370
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 106858731
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177810
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403
1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 81474055

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine (CID 105147059) is 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine is CNC(c1ccco1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is IYXRPGVDUYERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-16-13(11-6-3-7-17-11)12-8-9-4-2-5-10(15)14(9)18-12/h2-8,13,16H,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine?
1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 306.16 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105147059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).