4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol

C12H18ClNO2 — CID 117108193

IUPAC4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol
SMILESCNCC(O)c1c(C)c(Cl)c(C)c(C)c1O
InChIInChI=1S/C12H18ClNO2/c1-6-7(2)12(16)10(8(3)11(6)13)9(15)5-14-4/h9,14-16H,5H2,1-4H3
InChIKeyNMPVALRQENPLFX-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.22
Rot. Bonds3

About 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol

4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol (PubChem CID 117108193) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol.

Molecular Properties

Compound Name4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol
PubChem CID117108193
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol
SMILESCNCC(O)c1c(C)c(Cl)c(C)c(C)c1O
InChIInChI=1S/C12H18ClNO2/c1-6-7(2)12(16)10(8(3)11(6)13)9(15)5-14-4/h9,14-16H,5H2,1-4H3
InChIKeyNMPVALRQENPLFX-UHFFFAOYSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768
1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117499843
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
5-[1-hydroxy-2-(methylamino)ethyl]-3,4-dimethylbenzene-1,2-diol
CID 117301904
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol?
The IUPAC name of 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol (CID 117108193) is 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol.
What is the SMILES notation for 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol?
The canonical SMILES for 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol is CNCC(O)c1c(C)c(Cl)c(C)c(C)c1O.
What is the InChIKey of 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol?
The InChIKey is NMPVALRQENPLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-6-7(2)12(16)10(8(3)11(6)13)9(15)5-14-4/h9,14-16H,5H2,1-4H3.
What are the key properties of 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol?
4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol has a molecular weight of 243.73 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol is sourced from PubChem (CID 117108193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).