acetic acid;2-(tert-butylamino)-1-phenylethanol

C14H23NO3 — CID 3055251

IUPACacetic acid;2-(tert-butylamino)-1-phenylethanol
SMILESCC(=O)O.CC(C)(C)NCC(O)c1ccccc1
InChIInChI=1S/C12H19NO.C2H4O2/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10;1-2(3)4/h4-8,11,13-14H,9H2,1-3H3;1H3,(H,3,4)
InChIKeyRYNLBAYVNNQCDG-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.20
Rot. Bonds3

About acetic acid;2-(tert-butylamino)-1-phenylethanol

acetic acid;2-(tert-butylamino)-1-phenylethanol (PubChem CID 3055251) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is acetic acid;2-(tert-butylamino)-1-phenylethanol.

Molecular Properties

Compound Nameacetic acid;2-(tert-butylamino)-1-phenylethanol
PubChem CID3055251
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameacetic acid;2-(tert-butylamino)-1-phenylethanol
SMILESCC(=O)O.CC(C)(C)NCC(O)c1ccccc1
InChIInChI=1S/C12H19NO.C2H4O2/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10;1-2(3)4/h4-8,11,13-14H,9H2,1-3H3;1H3,(H,3,4)
InChIKeyRYNLBAYVNNQCDG-UHFFFAOYSA-N
XLogP2.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(tert-butylamino)-1-phenylethanol?
The IUPAC name of acetic acid;2-(tert-butylamino)-1-phenylethanol (CID 3055251) is acetic acid;2-(tert-butylamino)-1-phenylethanol.
What is the SMILES notation for acetic acid;2-(tert-butylamino)-1-phenylethanol?
The canonical SMILES for acetic acid;2-(tert-butylamino)-1-phenylethanol is CC(=O)O.CC(C)(C)NCC(O)c1ccccc1.
What is the InChIKey of acetic acid;2-(tert-butylamino)-1-phenylethanol?
The InChIKey is RYNLBAYVNNQCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C2H4O2/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10;1-2(3)4/h4-8,11,13-14H,9H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(tert-butylamino)-1-phenylethanol?
acetic acid;2-(tert-butylamino)-1-phenylethanol has a molecular weight of 253.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(tert-butylamino)-1-phenylethanol is sourced from PubChem (CID 3055251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).