1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol

C13H20ClNO2 — CID 117398229

IUPAC1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(C(C)C)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-8(2)9-6-13(17-4)10(5-11(9)14)12(16)7-15-3/h5-6,8,12,15-16H,7H2,1-4H3
InChIKeyKGTZRSVLKQKZHY-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.72
Rot. Bonds5

About 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol

1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol (PubChem CID 117398229) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
PubChem CID117398229
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(C(C)C)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-8(2)9-6-13(17-4)10(5-11(9)14)12(16)7-15-3/h5-6,8,12,15-16H,7H2,1-4H3
InChIKeyKGTZRSVLKQKZHY-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
N-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117331725
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117320446
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol
CID 117427462

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol (CID 117398229) is 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Cl)c(C(C)C)cc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol?
The InChIKey is KGTZRSVLKQKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-8(2)9-6-13(17-4)10(5-11(9)14)12(16)7-15-3/h5-6,8,12,15-16H,7H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol?
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol has a molecular weight of 257.76 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117398229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).