5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol

C17H21NO2 — CID 81350522

IUPAC5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
SMILESCOc1ccc(C(C)N[C@@H](C)c2ccccc2)c(O)c1
InChIInChI=1S/C17H21NO2/c1-12(14-7-5-4-6-8-14)18-13(2)16-10-9-15(20-3)11-17(16)19/h4-13,18-19H,1-3H3/t12-,13?/m0/s1
InChIKeyZQHGZYPLVALILG-UEWDXFNNSA-N
MW271.36 g/mol
LogP3.81
Rot. Bonds5

About 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol

5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol (PubChem CID 81350522) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
PubChem CID81350522
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
SMILESCOc1ccc(C(C)N[C@@H](C)c2ccccc2)c(O)c1
InChIInChI=1S/C17H21NO2/c1-12(14-7-5-4-6-8-14)18-13(2)16-10-9-15(20-3)11-17(16)19/h4-13,18-19H,1-3H3/t12-,13?/m0/s1
InChIKeyZQHGZYPLVALILG-UEWDXFNNSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660
5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
CID 81402064
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81370710
3-[1-[1-(4-methoxyphenyl)ethylamino]ethyl]phenol
CID 43748561
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol (CID 81350522) is 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol is COc1ccc(C(C)N[C@@H](C)c2ccccc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol?
The InChIKey is ZQHGZYPLVALILG-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(14-7-5-4-6-8-14)18-13(2)16-10-9-15(20-3)11-17(16)19/h4-13,18-19H,1-3H3/t12-,13?/m0/s1.
What are the key properties of 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol?
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol is sourced from PubChem (CID 81350522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).