2-(6H-benzo[7]annulen-6-yloxy)ethanamine

C13H15NO — CID 142833231

IUPAC2-(6H-benzo[7]annulen-6-yloxy)ethanamine
SMILESNCCOC1C=CC=c2ccccc2=C1
InChIInChI=1S/C13H15NO/c14-8-9-15-13-7-3-6-11-4-1-2-5-12(11)10-13/h1-7,10,13H,8-9,14H2
InChIKeyRDQBXSPISRVMKE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.16
Rot. Bonds3

About 2-(6H-benzo[7]annulen-6-yloxy)ethanamine

2-(6H-benzo[7]annulen-6-yloxy)ethanamine (PubChem CID 142833231) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(6H-benzo[7]annulen-6-yloxy)ethanamine.

Molecular Properties

Compound Name2-(6H-benzo[7]annulen-6-yloxy)ethanamine
PubChem CID142833231
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(6H-benzo[7]annulen-6-yloxy)ethanamine
SMILESNCCOC1C=CC=c2ccccc2=C1
InChIInChI=1S/C13H15NO/c14-8-9-15-13-7-3-6-11-4-1-2-5-12(11)10-13/h1-7,10,13H,8-9,14H2
InChIKeyRDQBXSPISRVMKE-UHFFFAOYSA-N
XLogP0.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine
CID 142279462
(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57034688
[(5R)-5-ethyl-3-methyl-2,5-dihydrofuran-2-yl]methanamine
CID 59859713
2-(Cyclopenta-1,3-dien-1-ylmethoxy)ethanamine
CID 68017375
2H-cyclohepta[b]furan-2-ylmethanamine
CID 87962524
8aH-cyclohepta[b]furan-2-ylmethanamine
CID 87962525
2-(1-Methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 89093675
2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
CID 89473311
2-(6-Methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 118457795
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
[7-(Aminomethyl)-2,7-dihydrooxepin-4-yl]methanediamine
CID 123538143

Frequently Asked Questions

What is the IUPAC name of 2-(6H-benzo[7]annulen-6-yloxy)ethanamine?
The IUPAC name of 2-(6H-benzo[7]annulen-6-yloxy)ethanamine (CID 142833231) is 2-(6H-benzo[7]annulen-6-yloxy)ethanamine.
What is the SMILES notation for 2-(6H-benzo[7]annulen-6-yloxy)ethanamine?
The canonical SMILES for 2-(6H-benzo[7]annulen-6-yloxy)ethanamine is NCCOC1C=CC=c2ccccc2=C1.
What is the InChIKey of 2-(6H-benzo[7]annulen-6-yloxy)ethanamine?
The InChIKey is RDQBXSPISRVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-8-9-15-13-7-3-6-11-4-1-2-5-12(11)10-13/h1-7,10,13H,8-9,14H2.
What are the key properties of 2-(6H-benzo[7]annulen-6-yloxy)ethanamine?
2-(6H-benzo[7]annulen-6-yloxy)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6H-benzo[7]annulen-6-yloxy)ethanamine is sourced from PubChem (CID 142833231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).