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

C18H23NO2 — CID 11565452

IUPAC4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-14(7-8-15-5-3-2-4-6-15)19-13-18(21)16-9-11-17(20)12-10-16/h2-6,9-12,14,18-21H,7-8,13H2,1H3
InChIKeyXNBSTVHGJUAXGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.04
Rot. Bonds7

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

4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol (PubChem CID 11565452) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
PubChem CID11565452
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-14(7-8-15-5-3-2-4-6-15)19-13-18(21)16-9-11-17(20)12-10-16/h2-6,9-12,14,18-21H,7-8,13H2,1H3
InChIKeyXNBSTVHGJUAXGY-UHFFFAOYSA-N
XLogP3.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
2,3,5,6-tetradeuterio-4-[(3R)-3-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 71314324
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
CID 67859728
2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 151436293
methyl 3-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]benzoate
CID 70592210
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253
(1R)-2-[[(2S)-4-(4-methylsulfonylphenyl)butan-2-yl]amino]-1-phenylethanol;hydrochloride
CID 70469832
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-[3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]-N,N-dimethylbenzamide
CID 70429456

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol (CID 11565452) is 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol is CC(CCc1ccccc1)NCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol?
The InChIKey is XNBSTVHGJUAXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(7-8-15-5-3-2-4-6-15)19-13-18(21)16-9-11-17(20)12-10-16/h2-6,9-12,14,18-21H,7-8,13H2,1H3.
What are the key properties of 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol?
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.04, 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)ethyl]phenol is sourced from PubChem (CID 11565452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).