(1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C12H17NO — CID 129049973

IUPAC(1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCO[C@H]1CC[C@H](N)c2ccccc21
InChIInChI=1S/C12H17NO/c1-2-14-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11-12H,2,7-8,13H2,1H3/t11-,12-/m0/s1
InChIKeyDJHGTASRHCFVNH-RYUDHWBXSA-N
MW191.27 g/mol
LogP2.56
Rot. Bonds2

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

(1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 129049973) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID129049973
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCO[C@H]1CC[C@H](N)c2ccccc21
InChIInChI=1S/C12H17NO/c1-2-14-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11-12H,2,7-8,13H2,1H3/t11-,12-/m0/s1
InChIKeyDJHGTASRHCFVNH-RYUDHWBXSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 129049973) is (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCO[C@H]1CC[C@H](N)c2ccccc21.
What is the InChIKey of (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DJHGTASRHCFVNH-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-14-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11-12H,2,7-8,13H2,1H3/t11-,12-/m0/s1.
What are the key properties of (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 129049973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).