cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol

C21H37NO2 — CID 143910685

IUPACcyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol
SMILESC1CCCCC1.CCN(CC)CCOC[C@@](C)(O)c1ccccc1
InChIInChI=1S/C15H25NO2.C6H12/c1-4-16(5-2)11-12-18-13-15(3,17)14-9-7-6-8-10-14;1-2-4-6-5-3-1/h6-10,17H,4-5,11-13H2,1-3H3;1-6H2/t15-;/m1./s1
InChIKeyQULYJPAEALXOHO-XFULWGLBSA-N
MW335.53 g/mol
LogP4.59
Rot. Bonds8

About cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol

cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol (PubChem CID 143910685) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Namecyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol
PubChem CID143910685
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Namecyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol
SMILESC1CCCCC1.CCN(CC)CCOC[C@@](C)(O)c1ccccc1
InChIInChI=1S/C15H25NO2.C6H12/c1-4-16(5-2)11-12-18-13-15(3,17)14-9-7-6-8-10-14;1-2-4-6-5-3-1/h6-10,17H,4-5,11-13H2,1-3H3;1-6H2/t15-;/m1./s1
InChIKeyQULYJPAEALXOHO-XFULWGLBSA-N
XLogP4.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[dichloro(phenyl)methoxy]-N,N-diethylethanamine
CID 67633336
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
1-amino-3-[2-ethoxyethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 64819365
2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 138397138
1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
CID 110425086
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
CID 20833921
2-(diethylamino)ethyl 2-hydroxy-2-(2-methylsulfanylphenyl)-2-phenylacetate
CID 117067116
2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
CID 68613707

Frequently Asked Questions

What is the IUPAC name of cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol?
The IUPAC name of cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol (CID 143910685) is cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol?
The canonical SMILES for cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol is C1CCCCC1.CCN(CC)CCOC[C@@](C)(O)c1ccccc1.
What is the InChIKey of cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol?
The InChIKey is QULYJPAEALXOHO-XFULWGLBSA-N. The full InChI is InChI=1S/C15H25NO2.C6H12/c1-4-16(5-2)11-12-18-13-15(3,17)14-9-7-6-8-10-14;1-2-4-6-5-3-1/h6-10,17H,4-5,11-13H2,1-3H3;1-6H2/t15-;/m1./s1.
What are the key properties of cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol?
cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol has a molecular weight of 335.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;(2S)-1-[2-(diethylamino)ethoxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 143910685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).