1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine

C15H17NO — CID 919728

IUPAC1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc2ccccc2c2c1COC2
InChIInChI=1S/C15H17NO/c1-16(2)8-12-7-11-5-3-4-6-13(11)15-10-17-9-14(12)15/h3-7H,8-10H2,1-2H3
InChIKeyFPGZPZNOGPTPIN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.93
Rot. Bonds2

About 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine

1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine (PubChem CID 919728) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine
PubChem CID919728
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc2ccccc2c2c1COC2
InChIInChI=1S/C15H17NO/c1-16(2)8-12-7-11-5-3-4-6-13(11)15-10-17-9-14(12)15/h3-7H,8-10H2,1-2H3
InChIKeyFPGZPZNOGPTPIN-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine (CID 919728) is 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine is CN(C)Cc1cc2ccccc2c2c1COC2.
What is the InChIKey of 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine?
The InChIKey is FPGZPZNOGPTPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(2)8-12-7-11-5-3-4-6-13(11)15-10-17-9-14(12)15/h3-7H,8-10H2,1-2H3.
What are the key properties of 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine?
1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydrobenzo[e][2]benzofuran-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 919728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).