(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol

C14H23NO2 — CID 27319633

IUPAC(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCC[C@@H](C)NC[C@@H](O)COc1ccccc1C
InChIInChI=1S/C14H23NO2/c1-4-12(3)15-9-13(16)10-17-14-8-6-5-7-11(14)2/h5-8,12-13,15-16H,4,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyILLZYUQZSHRPQG-CHWSQXEVSA-N
MW237.34 g/mol
LogP2.12
Rot. Bonds7

About (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol

(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 27319633) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID27319633
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCC[C@@H](C)NC[C@@H](O)COc1ccccc1C
InChIInChI=1S/C14H23NO2/c1-4-12(3)15-9-13(16)10-17-14-8-6-5-7-11(14)2/h5-8,12-13,15-16H,4,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyILLZYUQZSHRPQG-CHWSQXEVSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61223540
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 57123059
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 27319633) is (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol is CC[C@@H](C)NC[C@@H](O)COc1ccccc1C.
What is the InChIKey of (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is ILLZYUQZSHRPQG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12(3)15-9-13(16)10-17-14-8-6-5-7-11(14)2/h5-8,12-13,15-16H,4,9-10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol?
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 27319633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).