6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine

C15H21NO — CID 175629227

IUPAC6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine
SMILESCCOC1(C)C=CC=C2C(=C1)C=CCC2NC
InChIInChI=1S/C15H21NO/c1-4-17-15(2)10-6-8-13-12(11-15)7-5-9-14(13)16-3/h5-8,10-11,14,16H,4,9H2,1-3H3
InChIKeyIZIRXARQWSNZMC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.75
Rot. Bonds3

About 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine

6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine (PubChem CID 175629227) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine.

Molecular Properties

Compound Name6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine
PubChem CID175629227
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine
SMILESCCOC1(C)C=CC=C2C(=C1)C=CCC2NC
InChIInChI=1S/C15H21NO/c1-4-17-15(2)10-6-8-13-12(11-15)7-5-9-14(13)16-3/h5-8,10-11,14,16H,4,9H2,1-3H3
InChIKeyIZIRXARQWSNZMC-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine?
The IUPAC name of 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine (CID 175629227) is 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine.
What is the SMILES notation for 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine?
The canonical SMILES for 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine is CCOC1(C)C=CC=C2C(=C1)C=CCC2NC.
What is the InChIKey of 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine?
The InChIKey is IZIRXARQWSNZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-17-15(2)10-6-8-13-12(11-15)7-5-9-14(13)16-3/h5-8,10-11,14,16H,4,9H2,1-3H3.
What are the key properties of 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine?
6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N,6-dimethyl-1,2-dihydrobenzo[7]annulen-1-amine is sourced from PubChem (CID 175629227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).