4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol

C21H23NO3 — CID 163749959

IUPAC4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol
SMILESCC(Cc1ccc(O)c2ccccc12)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C21H23NO3/c1-14(22-13-21(25)15-6-9-17(23)10-7-15)12-16-8-11-20(24)19-5-3-2-4-18(16)19/h2-11,14,21-25H,12-13H2,1H3
InChIKeyLPDOGIKTLWZIOL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.51
Rot. Bonds6

About 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol

4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol (PubChem CID 163749959) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol
PubChem CID163749959
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol
SMILESCC(Cc1ccc(O)c2ccccc12)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C21H23NO3/c1-14(22-13-21(25)15-6-9-17(23)10-7-15)12-16-8-11-20(24)19-5-3-2-4-18(16)19/h2-11,14,21-25H,12-13H2,1H3
InChIKeyLPDOGIKTLWZIOL-UHFFFAOYSA-N
XLogP3.51
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]benzene-1,2-diol
CID 129056721
3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol
CID 129056709
5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxynaphthalen-1-yl)propan-2-yl]amino]ethyl]benzene-1,3-diol
CID 146025810
5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 16736096
4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol
CID 165341747
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol
CID 23322164
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
but-2-enedioic acid;5-[(1S)-1-hydroxy-2-[[(2S)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 67538447
but-2-enedioic acid;5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 67539129

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol?
The IUPAC name of 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol (CID 163749959) is 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol.
What is the SMILES notation for 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol?
The canonical SMILES for 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol is CC(Cc1ccc(O)c2ccccc12)NCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol?
The InChIKey is LPDOGIKTLWZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14(22-13-21(25)15-6-9-17(23)10-7-15)12-16-8-11-20(24)19-5-3-2-4-18(16)19/h2-11,14,21-25H,12-13H2,1H3.
What are the key properties of 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol?
4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol has a molecular weight of 337.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol is sourced from PubChem (CID 163749959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).