3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol

C13H21NO — CID 70853706

IUPAC3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
SMILESCC(CN(C)C)[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-10(9-14(3)4)11(2)12-6-5-7-13(15)8-12/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyNNSMJSTZRJPAHT-RRKGBCIJSA-N
MW207.32 g/mol
LogP2.69
Rot. Bonds4

About 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol

3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol (PubChem CID 70853706) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol.

Molecular Properties

Compound Name3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
PubChem CID70853706
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
SMILESCC(CN(C)C)[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C13H21NO/c1-10(9-14(3)4)11(2)12-6-5-7-13(15)8-12/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyNNSMJSTZRJPAHT-RRKGBCIJSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
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
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylbutan-1-amine
CID 142658972
3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
CID 123630245
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 51042275
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrate
CID 90279936
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol
CID 43751770
methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
CID 117243253
3-[1-(dimethylamino)-2-methylpentyl]phenol
CID 123306996
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol?
The IUPAC name of 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol (CID 70853706) is 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol.
What is the SMILES notation for 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol?
The canonical SMILES for 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol is CC(CN(C)C)[C@@H](C)c1cccc(O)c1.
What is the InChIKey of 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol?
The InChIKey is NNSMJSTZRJPAHT-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(9-14(3)4)11(2)12-6-5-7-13(15)8-12/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol?
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol is sourced from PubChem (CID 70853706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).