5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol

C17H21NO3 — CID 111104775

IUPAC5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC(O)Cc2ccccc2)cc1O
InChIInChI=1S/C17H21NO3/c1-21-17-8-7-14(10-16(17)20)11-18-12-15(19)9-13-5-3-2-4-6-13/h2-8,10,15,18-20H,9,11-12H2,1H3
InChIKeyMWDFBJISRNRXGL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds7

About 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol

5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol (PubChem CID 111104775) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
PubChem CID111104775
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC(O)Cc2ccccc2)cc1O
InChIInChI=1S/C17H21NO3/c1-21-17-8-7-14(10-16(17)20)11-18-12-15(19)9-13-5-3-2-4-6-13/h2-8,10,15,18-20H,9,11-12H2,1H3
InChIKeyMWDFBJISRNRXGL-UHFFFAOYSA-N
XLogP2.09
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
CID 111421897
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
2-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methoxyphenol
CID 111104741
5-[[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]amino]methyl]-2-methoxyphenol
CID 95260955
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
CID 115978569
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
CID 139528672

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol (CID 111104775) is 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol is COc1ccc(CNCC(O)Cc2ccccc2)cc1O.
What is the InChIKey of 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol?
The InChIKey is MWDFBJISRNRXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-21-17-8-7-14(10-16(17)20)11-18-12-15(19)9-13-5-3-2-4-6-13/h2-8,10,15,18-20H,9,11-12H2,1H3.
What are the key properties of 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol?
5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 111104775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).