2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol

C14H23NO — CID 174278157

IUPAC2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol
SMILESCC(C)Nc1cc(C(C)C)ccc1CCO
InChIInChI=1S/C14H23NO/c1-10(2)13-6-5-12(7-8-16)14(9-13)15-11(3)4/h5-6,9-11,15-16H,7-8H2,1-4H3
InChIKeyGQKOAENCHXWQMF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.17
Rot. Bonds5

About 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol

2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol (PubChem CID 174278157) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol
PubChem CID174278157
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol
SMILESCC(C)Nc1cc(C(C)C)ccc1CCO
InChIInChI=1S/C14H23NO/c1-10(2)13-6-5-12(7-8-16)14(9-13)15-11(3)4/h5-6,9-11,15-16H,7-8H2,1-4H3
InChIKeyGQKOAENCHXWQMF-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol?
The IUPAC name of 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol (CID 174278157) is 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol.
What is the SMILES notation for 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol?
The canonical SMILES for 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol is CC(C)Nc1cc(C(C)C)ccc1CCO.
What is the InChIKey of 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol?
The InChIKey is GQKOAENCHXWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)13-6-5-12(7-8-16)14(9-13)15-11(3)4/h5-6,9-11,15-16H,7-8H2,1-4H3.
What are the key properties of 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol?
2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol is sourced from PubChem (CID 174278157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).