(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol

C15H25NO2 — CID 787572

IUPAC(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OC[C@H](O)CNC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-12-6-8-14(9-7-12)18-11-13(17)10-16-15(2,3)4/h6-9,13,16-17H,5,10-11H2,1-4H3/t13-/m1/s1
InChIKeyWJTDZVXQRYXJNI-CYBMUJFWSA-N
MW251.37 g/mol
LogP2.38
Rot. Bonds6

About (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol

(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol (PubChem CID 787572) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
PubChem CID787572
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OC[C@H](O)CNC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-12-6-8-14(9-7-12)18-11-13(17)10-16-15(2,3)4/h6-9,13,16-17H,5,10-11H2,1-4H3/t13-/m1/s1
InChIKeyWJTDZVXQRYXJNI-CYBMUJFWSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol
CID 106190087
1-(tert-butylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 12005829
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile
CID 93381232
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide
CID 129404987
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909876

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol (CID 787572) is (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol is CCc1ccc(OC[C@H](O)CNC(C)(C)C)cc1.
What is the InChIKey of (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol?
The InChIKey is WJTDZVXQRYXJNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-12-6-8-14(9-7-12)18-11-13(17)10-16-15(2,3)4/h6-9,13,16-17H,5,10-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol?
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.38, 6 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-(4-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 787572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).