1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride

C21H30ClNO2 — CID 44522419

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride
SMILESCOc1cc(C)c(C(O)CNC(C)CCc2ccccc2)cc1C.Cl
InChIInChI=1S/C21H29NO2.ClH/c1-15-13-21(24-4)16(2)12-19(15)20(23)14-22-17(3)10-11-18-8-6-5-7-9-18;/h5-9,12-13,17,20,22-23H,10-11,14H2,1-4H3;1H
InChIKeyGGEICSTWKWPIBR-UHFFFAOYSA-N
MW363.93 g/mol
LogP4.38
Rot. Bonds8

About 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride

1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride (PubChem CID 44522419) has the molecular formula C21H30ClNO2 and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride
PubChem CID44522419
Molecular FormulaC21H30ClNO2
Molecular Weight363.93 g/mol
Exact Mass363.20
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride
SMILESCOc1cc(C)c(C(O)CNC(C)CCc2ccccc2)cc1C.Cl
InChIInChI=1S/C21H29NO2.ClH/c1-15-13-21(24-4)16(2)12-19(15)20(23)14-22-17(3)10-11-18-8-6-5-7-9-18;/h5-9,12-13,17,20,22-23H,10-11,14H2,1-4H3;1H
InChIKeyGGEICSTWKWPIBR-UHFFFAOYSA-N
XLogP4.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride (CID 44522419) is 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride is COc1cc(C)c(C(O)CNC(C)CCc2ccccc2)cc1C.Cl.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride?
The InChIKey is GGEICSTWKWPIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2.ClH/c1-15-13-21(24-4)16(2)12-19(15)20(23)14-22-17(3)10-11-18-8-6-5-7-9-18;/h5-9,12-13,17,20,22-23H,10-11,14H2,1-4H3;1H.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride?
1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-2-(4-phenylbutan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 44522419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).