(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol

C14H23NO2 — CID 27319600

IUPAC(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)CNC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-11-7-5-6-8-13(11)17-10-12(16)9-15-14(2,3)4/h5-8,12,15-16H,9-10H2,1-4H3/t12-/m1/s1
InChIKeyBJOVXRRJZMTSML-GFCCVEGCSA-N
MW237.34 g/mol
LogP2.12
Rot. Bonds5

About (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol

(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 27319600) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
PubChem CID27319600
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)CNC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-11-7-5-6-8-13(11)17-10-12(16)9-15-14(2,3)4/h5-8,12,15-16H,9-10H2,1-4H3/t12-/m1/s1
InChIKeyBJOVXRRJZMTSML-GFCCVEGCSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 13096685
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol (CID 27319600) is (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OC[C@H](O)CNC(C)(C)C.
What is the InChIKey of (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is BJOVXRRJZMTSML-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-7-5-6-8-13(11)17-10-12(16)9-15-14(2,3)4/h5-8,12,15-16H,9-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol?
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 27319600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).