6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

C12H14N2O — CID 11138151

IUPAC6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCOc1ccc2[nH]cc3c2c1CC(N)C3
InChIInChI=1S/C12H14N2O/c1-15-11-3-2-10-12-7(6-14-10)4-8(13)5-9(11)12/h2-3,6,8,14H,4-5,13H2,1H3
InChIKeyAEEIAUSQJMVCMW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.60
Rot. Bonds1

About 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (PubChem CID 11138151) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.

Molecular Properties

Compound Name6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
PubChem CID11138151
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCOc1ccc2[nH]cc3c2c1CC(N)C3
InChIInChI=1S/C12H14N2O/c1-15-11-3-2-10-12-7(6-14-10)4-8(13)5-9(11)12/h2-3,6,8,14H,4-5,13H2,1H3
InChIKeyAEEIAUSQJMVCMW-UHFFFAOYSA-N
XLogP1.60
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The IUPAC name of 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (CID 11138151) is 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.
What is the SMILES notation for 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The canonical SMILES for 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is COc1ccc2[nH]cc3c2c1CC(N)C3.
What is the InChIKey of 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The InChIKey is AEEIAUSQJMVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-15-11-3-2-10-12-7(6-14-10)4-8(13)5-9(11)12/h2-3,6,8,14H,4-5,13H2,1H3.
What are the key properties of 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine has a molecular weight of 202.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is sourced from PubChem (CID 11138151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).