4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol

C18H23NO2 — CID 82312289

IUPAC4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
SMILESCc1ccc(C(O)C(C)NCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-13-3-7-16(8-4-13)18(21)14(2)19-12-11-15-5-9-17(20)10-6-15/h3-10,14,18-21H,11-12H2,1-2H3
InChIKeyBQBIHDCWTRLQHX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds6

About 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol

4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol (PubChem CID 82312289) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
PubChem CID82312289
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
SMILESCc1ccc(C(O)C(C)NCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-13-3-7-16(8-4-13)18(21)14(2)19-12-11-15-5-9-17(20)10-6-15/h3-10,14,18-21H,11-12H2,1-2H3
InChIKeyBQBIHDCWTRLQHX-UHFFFAOYSA-N
XLogP2.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
CID 68746281
(E)-3-[4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl]prop-2-enoic acid
CID 139884994
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]-2-methylpropanoic acid
CID 10690668
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetic acid;hydrate
CID 139835763
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
ethyl 2-[4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]-2-methylpropanoate
CID 22671925
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
4-[4-[2-[[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 69104103
4-[2-(3-methylpentan-2-ylamino)ethyl]phenol
CID 61236728
benzyl 2-[4-[2-[[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetate
CID 70173354

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol (CID 82312289) is 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol is Cc1ccc(C(O)C(C)NCCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol?
The InChIKey is BQBIHDCWTRLQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-3-7-16(8-4-13)18(21)14(2)19-12-11-15-5-9-17(20)10-6-15/h3-10,14,18-21H,11-12H2,1-2H3.
What are the key properties of 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol?
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 82312289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).