2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol

C14H23NO — CID 69412499

IUPAC2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
SMILESCC[C@@H](c1ccccc1O)[C@@H](C)CN(C)C
InChIInChI=1S/C14H23NO/c1-5-12(11(2)10-15(3)4)13-8-6-7-9-14(13)16/h6-9,11-12,16H,5,10H2,1-4H3/t11-,12+/m0/s1
InChIKeyXBSDYTOGLDNTRZ-NWDGAFQWSA-N
MW221.34 g/mol
LogP3.08
Rot. Bonds5

About 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol

2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol (PubChem CID 69412499) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol.

Molecular Properties

Compound Name2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
PubChem CID69412499
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
SMILESCC[C@@H](c1ccccc1O)[C@@H](C)CN(C)C
InChIInChI=1S/C14H23NO/c1-5-12(11(2)10-15(3)4)13-8-6-7-9-14(13)16/h6-9,11-12,16H,5,10H2,1-4H3/t11-,12+/m0/s1
InChIKeyXBSDYTOGLDNTRZ-NWDGAFQWSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol
CID 68829740
3-[(2R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
CID 69349289
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
CID 159304421
2-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propyl]phenol
CID 61476921
(3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
CID 142838942
(2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
CID 142838909
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
CID 123630245
2-[(1R)-1-[methyl(propan-2-yl)amino]ethyl]phenol
CID 101104323
2-butan-2-ylphenol;formaldehyde
CID 66765994
3-(2-hydroxypentan-3-yl)benzene-1,2-diol
CID 174450984
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol?
The IUPAC name of 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol (CID 69412499) is 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol.
What is the SMILES notation for 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol?
The canonical SMILES for 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol is CC[C@@H](c1ccccc1O)[C@@H](C)CN(C)C.
What is the InChIKey of 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol?
The InChIKey is XBSDYTOGLDNTRZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12(11(2)10-15(3)4)13-8-6-7-9-14(13)16/h6-9,11-12,16H,5,10H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol?
2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol is sourced from PubChem (CID 69412499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).