(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H27NO — CID 10084026

IUPAC(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC
InChIInChI=1S/C17H27NO/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14/h6,8-9,14-15,18H,4-5,7,10-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyJKCHWDFSGZEHGN-HUUCEWRRSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds6

About (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10084026) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10084026
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC
InChIInChI=1S/C17H27NO/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14/h6,8-9,14-15,18H,4-5,7,10-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyJKCHWDFSGZEHGN-HUUCEWRRSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10084026) is (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC.
What is the InChIKey of (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is JKCHWDFSGZEHGN-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14/h6,8-9,14-15,18H,4-5,7,10-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10084026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).