5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol

C20H27NO2 — CID 110186079

IUPAC5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol
SMILESCc1ccc(C(O)C(C)NC(C)CCc2ccccc2)cc1O
InChIInChI=1S/C20H27NO2/c1-14-9-12-18(13-19(14)22)20(23)16(3)21-15(2)10-11-17-7-5-4-6-8-17/h4-9,12-13,15-16,20-23H,10-11H2,1-3H3
InChIKeyNYSOOTVOVAOZBP-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.73
Rot. Bonds7

About 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol

5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol (PubChem CID 110186079) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol.

Molecular Properties

Compound Name5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol
PubChem CID110186079
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol
SMILESCc1ccc(C(O)C(C)NC(C)CCc2ccccc2)cc1O
InChIInChI=1S/C20H27NO2/c1-14-9-12-18(13-19(14)22)20(23)16(3)21-15(2)10-11-17-7-5-4-6-8-17/h4-9,12-13,15-16,20-23H,10-11H2,1-3H3
InChIKeyNYSOOTVOVAOZBP-UHFFFAOYSA-N
XLogP3.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]propyl]-2,6-diiodophenol
CID 76970364
4-[2-hydroxy-1-(4-phenylbutan-2-ylamino)ethyl]benzene-1,2-diol
CID 69267913
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 43085015
4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 43504749
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
[1-hydroxy-1-(4-hydroxy-3-methylphenyl)propan-2-yl]-(4-phenylbutan-2-yl)azanium chloride
CID 110184058
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
(3R)-3-(3-hydroxy-4,5-dimethylphenyl)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7453278
4-[2-[2-(2,2-diphenylethylamino)ethylamino]-1-hydroxypropyl]benzene-1,2-diol
CID 10454019
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol?
The IUPAC name of 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol (CID 110186079) is 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol.
What is the SMILES notation for 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol?
The canonical SMILES for 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol is Cc1ccc(C(O)C(C)NC(C)CCc2ccccc2)cc1O.
What is the InChIKey of 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol?
The InChIKey is NYSOOTVOVAOZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-14-9-12-18(13-19(14)22)20(23)16(3)21-15(2)10-11-17-7-5-4-6-8-17/h4-9,12-13,15-16,20-23H,10-11H2,1-3H3.
What are the key properties of 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol?
5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol has a molecular weight of 313.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol is sourced from PubChem (CID 110186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).