3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol

C22H25NO2 — CID 129056709

IUPAC3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol
SMILESCc1ccc(CC(C)NCC(O)c2cccc(O)c2)c2ccccc12
InChIInChI=1S/C22H25NO2/c1-15-10-11-17(21-9-4-3-8-20(15)21)12-16(2)23-14-22(25)18-6-5-7-19(24)13-18/h3-11,13,16,22-25H,12,14H2,1-2H3
InChIKeyCRJDEHKYVRZAHI-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.11
Rot. Bonds6

About 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol

3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol (PubChem CID 129056709) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol
PubChem CID129056709
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol
SMILESCc1ccc(CC(C)NCC(O)c2cccc(O)c2)c2ccccc12
InChIInChI=1S/C22H25NO2/c1-15-10-11-17(21-9-4-3-8-20(15)21)12-16(2)23-14-22(25)18-6-5-7-19(24)13-18/h3-11,13,16,22-25H,12,14H2,1-2H3
InChIKeyCRJDEHKYVRZAHI-UHFFFAOYSA-N
XLogP4.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 16736096
5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxynaphthalen-1-yl)propan-2-yl]amino]ethyl]benzene-1,3-diol
CID 146025810
4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol
CID 163749959
2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol
CID 23322164
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
1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
CID 11324939
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol?
The IUPAC name of 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol (CID 129056709) is 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol?
The canonical SMILES for 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol is Cc1ccc(CC(C)NCC(O)c2cccc(O)c2)c2ccccc12.
What is the InChIKey of 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol?
The InChIKey is CRJDEHKYVRZAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15-10-11-17(21-9-4-3-8-20(15)21)12-16(2)23-14-22(25)18-6-5-7-19(24)13-18/h3-11,13,16,22-25H,12,14H2,1-2H3.
What are the key properties of 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol?
3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol has a molecular weight of 335.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 129056709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).