2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol

C14H23NO2 — CID 114228231

IUPAC2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
SMILESCOC(C)(C)C(C)NC(CO)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-11(14(2,3)17-4)15-13(10-16)12-8-6-5-7-9-12/h5-9,11,13,15-16H,10H2,1-4H3
InChIKeyLXHQEYHYMGEVOE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.12
Rot. Bonds6

About 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol

2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol (PubChem CID 114228231) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
PubChem CID114228231
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
SMILESCOC(C)(C)C(C)NC(CO)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-11(14(2,3)17-4)15-13(10-16)12-8-6-5-7-9-12/h5-9,11,13,15-16H,10H2,1-4H3
InChIKeyLXHQEYHYMGEVOE-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol (CID 114228231) is 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol is COC(C)(C)C(C)NC(CO)c1ccccc1.
What is the InChIKey of 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol?
The InChIKey is LXHQEYHYMGEVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(14(2,3)17-4)15-13(10-16)12-8-6-5-7-9-12/h5-9,11,13,15-16H,10H2,1-4H3.
What are the key properties of 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol?
2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol has a molecular weight of 237.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol is sourced from PubChem (CID 114228231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).