(2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol

C15H19NO — CID 28723092

IUPAC(2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO/c1-2-15(11-17)16-10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-17H,2,10-11H2,1H3/t15-/m1/s1
InChIKeyRCKYZOIPWRUAJJ-OAHLLOKOSA-N
MW229.32 g/mol
LogP2.70
Rot. Bonds5

About (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol

(2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol (PubChem CID 28723092) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol
PubChem CID28723092
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO/c1-2-15(11-17)16-10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-17H,2,10-11H2,1H3/t15-/m1/s1
InChIKeyRCKYZOIPWRUAJJ-OAHLLOKOSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol?
The IUPAC name of (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol (CID 28723092) is (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol is CC[C@H](CO)NCc1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol?
The InChIKey is RCKYZOIPWRUAJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-15(11-17)16-10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-17H,2,10-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol?
(2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalen-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 28723092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).