benzo[e][1]benzofuran;N,N-dimethylmethanamine

C15H17NO — CID 174542666

IUPACbenzo[e][1]benzofuran;N,N-dimethylmethanamine
SMILESCN(C)C.c1ccc2c(c1)ccc1occc12
InChIInChI=1S/C12H8O.C3H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;1-4(2)3/h1-8H;1-3H3
InChIKeyLZJMGSUMKYYHLL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.76
Rot. Bonds

About benzo[e][1]benzofuran;N,N-dimethylmethanamine

benzo[e][1]benzofuran;N,N-dimethylmethanamine (PubChem CID 174542666) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is benzo[e][1]benzofuran;N,N-dimethylmethanamine.

Molecular Properties

Compound Namebenzo[e][1]benzofuran;N,N-dimethylmethanamine
PubChem CID174542666
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Namebenzo[e][1]benzofuran;N,N-dimethylmethanamine
SMILESCN(C)C.c1ccc2c(c1)ccc1occc12
InChIInChI=1S/C12H8O.C3H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;1-4(2)3/h1-8H;1-3H3
InChIKeyLZJMGSUMKYYHLL-UHFFFAOYSA-N
XLogP3.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzofuran;N,N-dimethylmethanamine?
The IUPAC name of benzo[e][1]benzofuran;N,N-dimethylmethanamine (CID 174542666) is benzo[e][1]benzofuran;N,N-dimethylmethanamine.
What is the SMILES notation for benzo[e][1]benzofuran;N,N-dimethylmethanamine?
The canonical SMILES for benzo[e][1]benzofuran;N,N-dimethylmethanamine is CN(C)C.c1ccc2c(c1)ccc1occc12.
What is the InChIKey of benzo[e][1]benzofuran;N,N-dimethylmethanamine?
The InChIKey is LZJMGSUMKYYHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.C3H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;1-4(2)3/h1-8H;1-3H3.
What are the key properties of benzo[e][1]benzofuran;N,N-dimethylmethanamine?
benzo[e][1]benzofuran;N,N-dimethylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzofuran;N,N-dimethylmethanamine is sourced from PubChem (CID 174542666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).