(1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine

C17H17NO — CID 59041093

IUPAC(1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine
SMILESCO[C@@H]1C=Cc2ccccc2[C@H]1Nc1ccccc1
InChIInChI=1S/C17H17NO/c1-19-16-12-11-13-7-5-6-10-15(13)17(16)18-14-8-3-2-4-9-14/h2-12,16-18H,1H3/t16-,17-/m1/s1
InChIKeyKASATEAOBHMTFX-IAGOWNOFSA-N
MW251.33 g/mol
LogP3.88
Rot. Bonds3

About (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine

(1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine (PubChem CID 59041093) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine
PubChem CID59041093
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine
SMILESCO[C@@H]1C=Cc2ccccc2[C@H]1Nc1ccccc1
InChIInChI=1S/C17H17NO/c1-19-16-12-11-13-7-5-6-10-15(13)17(16)18-14-8-3-2-4-9-14/h2-12,16-18H,1H3/t16-,17-/m1/s1
InChIKeyKASATEAOBHMTFX-IAGOWNOFSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine?
The IUPAC name of (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine (CID 59041093) is (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine.
What is the SMILES notation for (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine?
The canonical SMILES for (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine is CO[C@@H]1C=Cc2ccccc2[C@H]1Nc1ccccc1.
What is the InChIKey of (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine?
The InChIKey is KASATEAOBHMTFX-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H17NO/c1-19-16-12-11-13-7-5-6-10-15(13)17(16)18-14-8-3-2-4-9-14/h2-12,16-18H,1H3/t16-,17-/m1/s1.
What are the key properties of (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine?
(1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine has a molecular weight of 251.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine is sourced from PubChem (CID 59041093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).