5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol

C18H23NO2 — CID 63012949

IUPAC5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NC(C)Cc2ccccc2)c(O)c1
InChIInChI=1S/C18H23NO2/c1-13(11-15-7-5-4-6-8-15)19-14(2)17-10-9-16(21-3)12-18(17)20/h4-10,12-14,19-20H,11H2,1-3H3
InChIKeyAHVOQGJGVNYIGH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds6

About 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol

5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol (PubChem CID 63012949) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
PubChem CID63012949
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NC(C)Cc2ccccc2)c(O)c1
InChIInChI=1S/C18H23NO2/c1-13(11-15-7-5-4-6-8-15)19-14(2)17-10-9-16(21-3)12-18(17)20/h4-10,12-14,19-20H,11H2,1-3H3
InChIKeyAHVOQGJGVNYIGH-UHFFFAOYSA-N
XLogP3.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.68
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-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
CID 43692623
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
4-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]ethyl]benzene-1,3-diol
CID 63260759
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409
5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
CID 81402064

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol (CID 63012949) is 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol is COc1ccc(C(C)NC(C)Cc2ccccc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol?
The InChIKey is AHVOQGJGVNYIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(11-15-7-5-4-6-8-15)19-14(2)17-10-9-16(21-3)12-18(17)20/h4-10,12-14,19-20H,11H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol?
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 63012949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).