2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol

C14H23NO2 — CID 62772976

IUPAC2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)CNC(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-5-17-12-8-6-7-11(9-12)13(16)10-15-14(2,3)4/h6-9,13,15-16H,5,10H2,1-4H3
InChIKeyKHQVLLBFXWWTDR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds5

About 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol

2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol (PubChem CID 62772976) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol
PubChem CID62772976
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)CNC(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-5-17-12-8-6-7-11(9-12)13(16)10-15-14(2,3)4/h6-9,13,15-16H,5,10H2,1-4H3
InChIKeyKHQVLLBFXWWTDR-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
1-(3-ethoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035096
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1-(3-ethoxyphenyl)-3,3,4,4,4-pentafluorobutan-1-ol
CID 156763940
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
chloro-(3-ethoxyphenyl)methanol
CID 141156919
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol (CID 62772976) is 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol is CCOc1cccc(C(O)CNC(C)(C)C)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol?
The InChIKey is KHQVLLBFXWWTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-17-12-8-6-7-11(9-12)13(16)10-15-14(2,3)4/h6-9,13,15-16H,5,10H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol?
2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol is sourced from PubChem (CID 62772976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).