1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine

C18H16BrNO — CID 106851980

IUPAC1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1Br)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H16BrNO/c1-20-17(15-9-10-21-18(15)19)14-8-7-12-6-5-11-3-2-4-13(14)16(11)12/h2-4,7-10,17,20H,5-6H2,1H3
InChIKeyNQFFPQPSBWLJDR-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.60
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine

1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine (PubChem CID 106851980) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
PubChem CID106851980
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1Br)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H16BrNO/c1-20-17(15-9-10-21-18(15)19)14-8-7-12-6-5-11-3-2-4-13(14)16(11)12/h2-4,7-10,17,20H,5-6H2,1H3
InChIKeyNQFFPQPSBWLJDR-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine (CID 106851980) is 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine is CNC(c1ccoc1Br)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine?
The InChIKey is NQFFPQPSBWLJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-20-17(15-9-10-21-18(15)19)14-8-7-12-6-5-11-3-2-4-13(14)16(11)12/h2-4,7-10,17,20H,5-6H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine?
1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine has a molecular weight of 342.24 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine is sourced from PubChem (CID 106851980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).