1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol

C13H19NO — CID 82024150

IUPAC1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCc1ccc2c(c1)C(O)(CN)CCC2
InChIInChI=1S/C13H19NO/c1-2-10-5-6-11-4-3-7-13(15,9-14)12(11)8-10/h5-6,8,15H,2-4,7,9,14H2,1H3
InChIKeyPOUDBZKLEJDZAL-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.73
Rot. Bonds2

About 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol

1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 82024150) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID82024150
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCc1ccc2c(c1)C(O)(CN)CCC2
InChIInChI=1S/C13H19NO/c1-2-10-5-6-11-4-3-7-13(15,9-14)12(11)8-10/h5-6,8,15H,2-4,7,9,14H2,1H3
InChIKeyPOUDBZKLEJDZAL-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol (CID 82024150) is 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol is CCc1ccc2c(c1)C(O)(CN)CCC2.
What is the InChIKey of 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is POUDBZKLEJDZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-10-5-6-11-4-3-7-13(15,9-14)12(11)8-10/h5-6,8,15H,2-4,7,9,14H2,1H3.
What are the key properties of 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol?
1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-7-ethyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 82024150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).