1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol

C14H23NO3 — CID 65106127

IUPAC1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
SMILESCOc1ccc(C)cc1C(O)CNCC(C)(C)O
InChIInChI=1S/C14H23NO3/c1-10-5-6-13(18-4)11(7-10)12(16)8-15-9-14(2,3)17/h5-7,12,15-17H,8-9H2,1-4H3
InChIKeyRFIHXYDUWDZNOV-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.40
Rot. Bonds6

About 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol

1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol (PubChem CID 65106127) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
PubChem CID65106127
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
SMILESCOc1ccc(C)cc1C(O)CNCC(C)(C)O
InChIInChI=1S/C14H23NO3/c1-10-5-6-13(18-4)11(7-10)12(16)8-15-9-14(2,3)17/h5-7,12,15-17H,8-9H2,1-4H3
InChIKeyRFIHXYDUWDZNOV-UHFFFAOYSA-N
XLogP1.40
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728
2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60897559
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61469773
2-(2-chloro-6-methylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66252932
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol (CID 65106127) is 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol is COc1ccc(C)cc1C(O)CNCC(C)(C)O.
What is the InChIKey of 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol?
The InChIKey is RFIHXYDUWDZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-5-6-13(18-4)11(7-10)12(16)8-15-9-14(2,3)17/h5-7,12,15-17H,8-9H2,1-4H3.
What are the key properties of 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol?
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 65106127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).