(2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C13H19NO — CID 7014322

IUPAC(2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCCN[C@H]1CCc2ccccc2C1
InChIInChI=1S/C13H19NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3/t13-/m0/s1
InChIKeyKCZWUGOVLFXUDH-ZDUSSCGKSA-N
MW205.30 g/mol
LogP1.78
Rot. Bonds4

About (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 7014322) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID7014322
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCCN[C@H]1CCc2ccccc2C1
InChIInChI=1S/C13H19NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3/t13-/m0/s1
InChIKeyKCZWUGOVLFXUDH-ZDUSSCGKSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 7014322) is (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COCCN[C@H]1CCc2ccccc2C1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KCZWUGOVLFXUDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 7014322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).