2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol

C14H23NO2 — CID 79023945

IUPAC2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol
SMILESCC(C)NCC(O)c1ccccc1OC(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)15-9-13(16)12-7-5-6-8-14(12)17-11(3)4/h5-8,10-11,13,15-16H,9H2,1-4H3
InChIKeyFVHGQKZGDRFKOM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds6

About 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol

2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol (PubChem CID 79023945) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol
PubChem CID79023945
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol
SMILESCC(C)NCC(O)c1ccccc1OC(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)15-9-13(16)12-7-5-6-8-14(12)17-11(3)4/h5-8,10-11,13,15-16H,9H2,1-4H3
InChIKeyFVHGQKZGDRFKOM-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
4-methoxy-1-(2-propan-2-yloxyphenyl)pentan-1-ol
CID 105116940
2-(propan-2-ylamino)-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 60841302
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
1-(2-cyclopropylphenyl)-2-(propan-2-ylamino)ethanol
CID 79982949
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-(2-nitrophenyl)-2-(propan-2-ylamino)ethanol
CID 54182099
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-1-(2-propan-2-yloxyphenyl)nonan-1-ol
CID 156763821
2-(2,3-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanol
CID 115823684
1-(2-propan-2-yloxyphenyl)pentane-1,2-diol
CID 103454765

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol (CID 79023945) is 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol is CC(C)NCC(O)c1ccccc1OC(C)C.
What is the InChIKey of 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol?
The InChIKey is FVHGQKZGDRFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)15-9-13(16)12-7-5-6-8-14(12)17-11(3)4/h5-8,10-11,13,15-16H,9H2,1-4H3.
What are the key properties of 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol?
2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 79023945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).