(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H19NO — CID 10848491

IUPAC(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccccc1[C@H]1CCc2ccccc2[C@H]1N
InChIInChI=1S/C17H19NO/c1-19-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)18/h2-9,15,17H,10-11,18H2,1H3/t15-,17-/m1/s1
InChIKeyLIXJYYJPQVTNOK-NVXWUHKLSA-N
MW253.35 g/mol
LogP3.42
Rot. Bonds2

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

(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 10848491) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID10848491
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccccc1[C@H]1CCc2ccccc2[C@H]1N
InChIInChI=1S/C17H19NO/c1-19-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)18/h2-9,15,17H,10-11,18H2,1H3/t15-,17-/m1/s1
InChIKeyLIXJYYJPQVTNOK-NVXWUHKLSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 10848491) is (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccccc1[C@H]1CCc2ccccc2[C@H]1N.
What is the InChIKey of (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LIXJYYJPQVTNOK-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)18/h2-9,15,17H,10-11,18H2,1H3/t15-,17-/m1/s1.
What are the key properties of (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 253.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 10848491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).