N-(2-methoxyphenyl)benzo[cd]indol-2-amine

C18H14N2O — CID 745299

IUPACN-(2-methoxyphenyl)benzo[cd]indol-2-amine
SMILESCOc1ccccc1NC1=Nc2cccc3cccc1c23
InChIInChI=1S/C18H14N2O/c1-21-16-11-3-2-9-14(16)19-18-13-8-4-6-12-7-5-10-15(20-18)17(12)13/h2-11H,1H3,(H,19,20)
InChIKeyJBSAXCNLIBLGIG-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.35
Rot. Bonds2

About N-(2-methoxyphenyl)benzo[cd]indol-2-amine

N-(2-methoxyphenyl)benzo[cd]indol-2-amine (PubChem CID 745299) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)benzo[cd]indol-2-amine
PubChem CID745299
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC NameN-(2-methoxyphenyl)benzo[cd]indol-2-amine
SMILESCOc1ccccc1NC1=Nc2cccc3cccc1c23
InChIInChI=1S/C18H14N2O/c1-21-16-11-3-2-9-14(16)19-18-13-8-4-6-12-7-5-10-15(20-18)17(12)13/h2-11H,1H3,(H,19,20)
InChIKeyJBSAXCNLIBLGIG-UHFFFAOYSA-N
XLogP4.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)benzo[cd]indol-2-amine?
The IUPAC name of N-(2-methoxyphenyl)benzo[cd]indol-2-amine (CID 745299) is N-(2-methoxyphenyl)benzo[cd]indol-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)benzo[cd]indol-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)benzo[cd]indol-2-amine is COc1ccccc1NC1=Nc2cccc3cccc1c23.
What is the InChIKey of N-(2-methoxyphenyl)benzo[cd]indol-2-amine?
The InChIKey is JBSAXCNLIBLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-21-16-11-3-2-9-14(16)19-18-13-8-4-6-12-7-5-10-15(20-18)17(12)13/h2-11H,1H3,(H,19,20).
What are the key properties of N-(2-methoxyphenyl)benzo[cd]indol-2-amine?
N-(2-methoxyphenyl)benzo[cd]indol-2-amine has a molecular weight of 274.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)benzo[cd]indol-2-amine is sourced from PubChem (CID 745299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).