4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol

C19H25NO2 — CID 4567

IUPAC4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol
SMILESCC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3
InChIKeyPTGXAUBQBSGPKF-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.42
Rot. Bonds7

About 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol

4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol (PubChem CID 4567) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol
PubChem CID4567
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol
SMILESCC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3
InChIKeyPTGXAUBQBSGPKF-UHFFFAOYSA-N
XLogP3.42
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol (CID 4567) is 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol is CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol?
The InChIKey is PTGXAUBQBSGPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3.
What are the key properties of 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol?
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol has a molecular weight of 299.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol is sourced from PubChem (CID 4567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).