4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol

C17H21NO — CID 103642104

IUPAC4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol
SMILESCC(Cc1ccccc1)NCCc1ccc(O)cc1
InChIInChI=1S/C17H21NO/c1-14(13-16-5-3-2-4-6-16)18-12-11-15-7-9-17(19)10-8-15/h2-10,14,18-19H,11-13H2,1H3
InChIKeyYORVAKDLSDYSML-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.16
Rot. Bonds6

About 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol

4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol (PubChem CID 103642104) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol
PubChem CID103642104
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol
SMILESCC(Cc1ccccc1)NCCc1ccc(O)cc1
InChIInChI=1S/C17H21NO/c1-14(13-16-5-3-2-4-6-16)18-12-11-15-7-9-17(19)10-8-15/h2-10,14,18-19H,11-13H2,1H3
InChIKeyYORVAKDLSDYSML-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol (CID 103642104) is 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol is CC(Cc1ccccc1)NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol?
The InChIKey is YORVAKDLSDYSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(13-16-5-3-2-4-6-16)18-12-11-15-7-9-17(19)10-8-15/h2-10,14,18-19H,11-13H2,1H3.
What are the key properties of 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol?
4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-phenylpropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 103642104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).