5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C19H23NO — CID 62802871

IUPAC5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCCOc1ccccc1C1(N)CCCCc2ccccc21
InChIInChI=1S/C19H23NO/c1-2-21-18-13-6-5-12-17(18)19(20)14-8-7-10-15-9-3-4-11-16(15)19/h3-6,9,11-13H,2,7-8,10,14,20H2,1H3
InChIKeyULADFOOLIQKHBX-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.01
Rot. Bonds3

About 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 62802871) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID62802871
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCCOc1ccccc1C1(N)CCCCc2ccccc21
InChIInChI=1S/C19H23NO/c1-2-21-18-13-6-5-12-17(18)19(20)14-8-7-10-15-9-3-4-11-16(15)19/h3-6,9,11-13H,2,7-8,10,14,20H2,1H3
InChIKeyULADFOOLIQKHBX-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 62801884
2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
CID 62800564
5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 60793660
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 43558971
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
CID 80610107
1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 55120889
[1-(2-ethoxyphenyl)cyclopropyl]methanol
CID 105425266
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 65313131

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 62802871) is 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is CCOc1ccccc1C1(N)CCCCc2ccccc21.
What is the InChIKey of 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is ULADFOOLIQKHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-21-18-13-6-5-12-17(18)19(20)14-8-7-10-15-9-3-4-11-16(15)19/h3-6,9,11-13H,2,7-8,10,14,20H2,1H3.
What are the key properties of 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 281.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 62802871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).