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

C18H21NO2 — CID 11266074

IUPAC(2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc(OC)c1-c1cccc2c1CC[C@H](N)C2
InChIInChI=1S/C18H21NO2/c1-20-16-7-4-8-17(21-2)18(16)15-6-3-5-12-11-13(19)9-10-14(12)15/h3-8,13H,9-11,19H2,1-2H3/t13-/m0/s1
InChIKeyJESMEDGWESGLLT-ZDUSSCGKSA-N
MW283.37 g/mol
LogP3.19
Rot. Bonds3

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

(2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 11266074) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID11266074
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc(OC)c1-c1cccc2c1CC[C@H](N)C2
InChIInChI=1S/C18H21NO2/c1-20-16-7-4-8-17(21-2)18(16)15-6-3-5-12-11-13(19)9-10-14(12)15/h3-8,13H,9-11,19H2,1-2H3/t13-/m0/s1
InChIKeyJESMEDGWESGLLT-ZDUSSCGKSA-N
XLogP3.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 11266074) is (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cccc(OC)c1-c1cccc2c1CC[C@H](N)C2.
What is the InChIKey of (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is JESMEDGWESGLLT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-7-4-8-17(21-2)18(16)15-6-3-5-12-11-13(19)9-10-14(12)15/h3-8,13H,9-11,19H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 283.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(2,6-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 11266074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).