(1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine

C12H15N — CID 89006623

IUPAC(1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine
SMILESC[C@H](N)C1=CCc2ccccc2C1
InChIInChI=1S/C12H15N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-5,7,9H,6,8,13H2,1H3/t9-/m0/s1
InChIKeyMZJJUJQKLXHARY-VIFPVBQESA-N
MW173.26 g/mol
LogP2.06
Rot. Bonds1

About (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine

(1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine (PubChem CID 89006623) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine
PubChem CID89006623
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine
SMILESC[C@H](N)C1=CCc2ccccc2C1
InChIInChI=1S/C12H15N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-5,7,9H,6,8,13H2,1H3/t9-/m0/s1
InChIKeyMZJJUJQKLXHARY-VIFPVBQESA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine?
The IUPAC name of (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine (CID 89006623) is (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine is C[C@H](N)C1=CCc2ccccc2C1.
What is the InChIKey of (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine?
The InChIKey is MZJJUJQKLXHARY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-5,7,9H,6,8,13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine?
(1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine has a molecular weight of 173.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,4-dihydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 89006623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).