2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol

C14H23NO2 — CID 60901325

IUPAC2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-10-6-7-13(17-5)11(8-10)12(16)9-15-14(2,3)4/h6-8,12,15-16H,9H2,1-5H3
InChIKeyNEDXOGNTLPUGHA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.43
Rot. Bonds4

About 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol

2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 60901325) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID60901325
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-10-6-7-13(17-5)11(8-10)12(16)9-15-14(2,3)4/h6-8,12,15-16H,9H2,1-5H3
InChIKeyNEDXOGNTLPUGHA-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60897559
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-(1-pyridin-4-ylethylamino)ethanol
CID 60909056
1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
CID 103784409
2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61469773
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408941
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 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol (CID 60901325) is 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1C(O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is NEDXOGNTLPUGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-6-7-13(17-5)11(8-10)12(16)9-15-14(2,3)4/h6-8,12,15-16H,9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol?
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 60901325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).