(2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C14H21NO2 — CID 139759837

IUPAC(2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCOc1ccc2c(c1OCC)CC[C@H](N)C2
InChIInChI=1S/C14H21NO2/c1-3-16-13-8-5-10-9-11(15)6-7-12(10)14(13)17-4-2/h5,8,11H,3-4,6-7,9,15H2,1-2H3/t11-/m0/s1
InChIKeyYSTYAQHTUHOQJF-NSHDSACASA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds4

About (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 139759837) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID139759837
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCOc1ccc2c(c1OCC)CC[C@H](N)C2
InChIInChI=1S/C14H21NO2/c1-3-16-13-8-5-10-9-11(15)6-7-12(10)14(13)17-4-2/h5,8,11H,3-4,6-7,9,15H2,1-2H3/t11-/m0/s1
InChIKeyYSTYAQHTUHOQJF-NSHDSACASA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 139759837) is (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCOc1ccc2c(c1OCC)CC[C@H](N)C2.
What is the InChIKey of (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is YSTYAQHTUHOQJF-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-16-13-8-5-10-9-11(15)6-7-12(10)14(13)17-4-2/h5,8,11H,3-4,6-7,9,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 139759837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).