(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C21H27NO — CID 10063953

IUPAC(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(Cc1ccccc1)[C@@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C21H27NO/c1-3-14-22(16-17-8-5-4-6-9-17)19-12-13-20-18(15-19)10-7-11-21(20)23-2/h4-11,19H,3,12-16H2,1-2H3/t19-/m1/s1
InChIKeyJZLLENPQJVOGOX-LJQANCHMSA-N
MW309.45 g/mol
LogP4.46
Rot. Bonds6

About (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10063953) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10063953
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(Cc1ccccc1)[C@@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C21H27NO/c1-3-14-22(16-17-8-5-4-6-9-17)19-12-13-20-18(15-19)10-7-11-21(20)23-2/h4-11,19H,3,12-16H2,1-2H3/t19-/m1/s1
InChIKeyJZLLENPQJVOGOX-LJQANCHMSA-N
XLogP4.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10063953) is (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(Cc1ccccc1)[C@@H]1CCc2c(cccc2OC)C1.
What is the InChIKey of (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is JZLLENPQJVOGOX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-14-22(16-17-8-5-4-6-9-17)19-12-13-20-18(15-19)10-7-11-21(20)23-2/h4-11,19H,3,12-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 309.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10063953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).