[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol

C13H21NO — CID 93275520

IUPAC[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
SMILESCC[C@@H](C)[C@@H](C)Nc1ccccc1CO
InChIInChI=1S/C13H21NO/c1-4-10(2)11(3)14-13-8-6-5-7-12(13)9-15/h5-8,10-11,14-15H,4,9H2,1-3H3/t10-,11-/m1/s1
InChIKeyNWQDWIBNLNYLNG-GHMZBOCLSA-N
MW207.32 g/mol
LogP3.03
Rot. Bonds5

About [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol

[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol (PubChem CID 93275520) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
PubChem CID93275520
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
SMILESCC[C@@H](C)[C@@H](C)Nc1ccccc1CO
InChIInChI=1S/C13H21NO/c1-4-10(2)11(3)14-13-8-6-5-7-12(13)9-15/h5-8,10-11,14-15H,4,9H2,1-3H3/t10-,11-/m1/s1
InChIKeyNWQDWIBNLNYLNG-GHMZBOCLSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(2S,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275522
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CID 102848997
3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol
CID 65337723
[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
[2-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007205
[2-(heptan-2-ylamino)phenyl]methanol
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[2-[1-(2-methoxyphenyl)propylamino]phenyl]methanol
CID 43790484
N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
CID 43743986
[2-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 43743253
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol
CID 103935860

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol?
The IUPAC name of [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol (CID 93275520) is [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol?
The canonical SMILES for [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol is CC[C@@H](C)[C@@H](C)Nc1ccccc1CO.
What is the InChIKey of [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol?
The InChIKey is NWQDWIBNLNYLNG-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-10(2)11(3)14-13-8-6-5-7-12(13)9-15/h5-8,10-11,14-15H,4,9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol?
[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol has a molecular weight of 207.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 93275520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).