(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol

C20H21NO — CID 20631901

IUPAC(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESCNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m0/s1
InChIKeyRSZGIFQDUIROGN-PMACEKPBSA-N
MW291.39 g/mol
LogP3.88
Rot. Bonds5

About (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol

(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol (PubChem CID 20631901) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
PubChem CID20631901
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESCNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m0/s1
InChIKeyRSZGIFQDUIROGN-PMACEKPBSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol (CID 20631901) is (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol is CNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The InChIKey is RSZGIFQDUIROGN-PMACEKPBSA-N. The full InChI is InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m0/s1.
What are the key properties of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol?
(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 20631901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).