1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one

C19H16N2O — CID 24692767

IUPAC1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
SMILESNCc1ccccc1CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C19H16N2O/c20-11-14-5-1-2-6-15(14)12-21-17-10-4-8-13-7-3-9-16(18(13)17)19(21)22/h1-10H,11-12,20H2
InChIKeyAMFWUUFGGFWVKA-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.46
Rot. Bonds3

About 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one

1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one (PubChem CID 24692767) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
PubChem CID24692767
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
SMILESNCc1ccccc1CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C19H16N2O/c20-11-14-5-1-2-6-15(14)12-21-17-10-4-8-13-7-3-9-16(18(13)17)19(21)22/h1-10H,11-12,20H2
InChIKeyAMFWUUFGGFWVKA-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one (CID 24692767) is 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one is NCc1ccccc1CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one?
The InChIKey is AMFWUUFGGFWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c20-11-14-5-1-2-6-15(14)12-21-17-10-4-8-13-7-3-9-16(18(13)17)19(21)22/h1-10H,11-12,20H2.
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one?
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one has a molecular weight of 288.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 24692767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).