1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol

C16H25NO2 — CID 114545638

IUPAC1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
SMILESCOc1ccc(C)cc1C(O)CNC1CCC(C)C1
InChIInChI=1S/C16H25NO2/c1-11-4-6-13(8-11)17-10-15(18)14-9-12(2)5-7-16(14)19-3/h5,7,9,11,13,15,17-18H,4,6,8,10H2,1-3H3
InChIKeyXJVYKUYJWQDQHJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol

1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol (PubChem CID 114545638) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
PubChem CID114545638
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
SMILESCOc1ccc(C)cc1C(O)CNC1CCC(C)C1
InChIInChI=1S/C16H25NO2/c1-11-4-6-13(8-11)17-10-15(18)14-9-12(2)5-7-16(14)19-3/h5,7,9,11,13,15,17-18H,4,6,8,10H2,1-3H3
InChIKeyXJVYKUYJWQDQHJ-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
CID 111466776
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
CID 64728823
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol
CID 80719513
3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 106256675
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115651887
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 78871610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol (CID 114545638) is 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol is COc1ccc(C)cc1C(O)CNC1CCC(C)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The InChIKey is XJVYKUYJWQDQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-4-6-13(8-11)17-10-15(18)14-9-12(2)5-7-16(14)19-3/h5,7,9,11,13,15,17-18H,4,6,8,10H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.82, 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-[(3-methylcyclopentyl)amino]ethanol is sourced from PubChem (CID 114545638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).