1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol

C11H16ClNO — CID 84783153

IUPAC1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C)c(Cl)c1C
InChIInChI=1S/C11H16ClNO/c1-7-4-5-9(8(2)11(7)12)10(14)6-13-3/h4-5,10,13-14H,6H2,1-3H3
InChIKeySSMHBEBTSJIVND-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.21
Rot. Bonds3

About 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol

1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol (PubChem CID 84783153) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
PubChem CID84783153
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C)c(Cl)c1C
InChIInChI=1S/C11H16ClNO/c1-7-4-5-9(8(2)11(7)12)10(14)6-13-3/h4-5,10,13-14H,6H2,1-3H3
InChIKeySSMHBEBTSJIVND-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84810359
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699078
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol (CID 84783153) is 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol is CNCC(O)c1ccc(C)c(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol?
The InChIKey is SSMHBEBTSJIVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7-4-5-9(8(2)11(7)12)10(14)6-13-3/h4-5,10,13-14H,6H2,1-3H3.
What are the key properties of 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol?
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol has a molecular weight of 213.71 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84783153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).