(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C13H19NO — CID 79014278

IUPAC(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCOc1ccc2c(c1)[C@@H](N)CCCC2
InChIInChI=1S/C13H19NO/c1-2-15-11-8-7-10-5-3-4-6-13(14)12(10)9-11/h7-9,13H,2-6,14H2,1H3/t13-/m0/s1
InChIKeySDOJEPVVMMPBFE-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds2

About (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 79014278) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID79014278
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCOc1ccc2c(c1)[C@@H](N)CCCC2
InChIInChI=1S/C13H19NO/c1-2-15-11-8-7-10-5-3-4-6-13(14)12(10)9-11/h7-9,13H,2-6,14H2,1H3/t13-/m0/s1
InChIKeySDOJEPVVMMPBFE-ZDUSSCGKSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091177
2-[(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethanol
CID 103719192
(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091185
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091155
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1R)-6-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131884185
3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 55223849

Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 79014278) is (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCOc1ccc2c(c1)[C@@H](N)CCCC2.
What is the InChIKey of (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is SDOJEPVVMMPBFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-15-11-8-7-10-5-3-4-6-13(14)12(10)9-11/h7-9,13H,2-6,14H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 205.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 79014278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).