3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol

C13H21NO — CID 71159880

IUPAC3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol
SMILESCC[C@@H](c1cccc(O)c1)[C@@H](C)CNC
InChIInChI=1S/C13H21NO/c1-4-13(10(2)9-14-3)11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13+/m0/s1
InChIKeyPQQINTFVECNXLC-GXFFZTMASA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds5

About 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol

3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol (PubChem CID 71159880) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol.

Molecular Properties

Compound Name3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol
PubChem CID71159880
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol
SMILESCC[C@@H](c1cccc(O)c1)[C@@H](C)CNC
InChIInChI=1S/C13H21NO/c1-4-13(10(2)9-14-3)11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13+/m0/s1
InChIKeyPQQINTFVECNXLC-GXFFZTMASA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol?
The IUPAC name of 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol (CID 71159880) is 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol.
What is the SMILES notation for 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol?
The canonical SMILES for 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol is CC[C@@H](c1cccc(O)c1)[C@@H](C)CNC.
What is the InChIKey of 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol?
The InChIKey is PQQINTFVECNXLC-GXFFZTMASA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(10(2)9-14-3)11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol?
3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol is sourced from PubChem (CID 71159880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).