1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol

C17H21NO2 — CID 60900549

IUPAC1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNc1ccccc1C
InChIInChI=1S/C17H21NO2/c1-12-8-9-17(20-3)14(10-12)16(19)11-18-15-7-5-4-6-13(15)2/h4-10,16,18-19H,11H2,1-3H3
InChIKeyBGCBMZYSBRAWEX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol

1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol (PubChem CID 60900549) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
PubChem CID60900549
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNc1ccccc1C
InChIInChI=1S/C17H21NO2/c1-12-8-9-17(20-3)14(10-12)16(19)11-18-15-7-5-4-6-13(15)2/h4-10,16,18-19H,11H2,1-3H3
InChIKeyBGCBMZYSBRAWEX-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-methylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66252932
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61469773
2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60897559
2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901198
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
2-(3-ethynylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60902936
2-(2-methylanilino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82123675
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol (CID 60900549) is 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol is COc1ccc(C)cc1C(O)CNc1ccccc1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol?
The InChIKey is BGCBMZYSBRAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-8-9-17(20-3)14(10-12)16(19)11-18-15-7-5-4-6-13(15)2/h4-10,16,18-19H,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol?
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol has a molecular weight of 271.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol is sourced from PubChem (CID 60900549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).