3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol

C19H25NO — CID 43748567

IUPAC3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol
SMILESCc1cc(C)c(C(C)NC(C)c2cccc(O)c2)c(C)c1
InChIInChI=1S/C19H25NO/c1-12-9-13(2)19(14(3)10-12)16(5)20-15(4)17-7-6-8-18(21)11-17/h6-11,15-16,20-21H,1-5H3
InChIKeyHZYDRFYGPXTECQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.73
Rot. Bonds4

About 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol

3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol (PubChem CID 43748567) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol
PubChem CID43748567
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol
SMILESCc1cc(C)c(C(C)NC(C)c2cccc(O)c2)c(C)c1
InChIInChI=1S/C19H25NO/c1-12-9-13(2)19(14(3)10-12)16(5)20-15(4)17-7-6-8-18(21)11-17/h6-11,15-16,20-21H,1-5H3
InChIKeyHZYDRFYGPXTECQ-UHFFFAOYSA-N
XLogP4.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81367068
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81370710
3-[1-[1-(4-methoxyphenyl)ethylamino]ethyl]phenol
CID 43748561
2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 22338935
3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol
CID 43748540
(1R)-1-(4-fluorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81351118
(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81356704
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile
CID 43791627
2-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzene-1,4-diol
CID 81363535
N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 43190075

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol (CID 43748567) is 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol is Cc1cc(C)c(C(C)NC(C)c2cccc(O)c2)c(C)c1.
What is the InChIKey of 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol?
The InChIKey is HZYDRFYGPXTECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-12-9-13(2)19(14(3)10-12)16(5)20-15(4)17-7-6-8-18(21)11-17/h6-11,15-16,20-21H,1-5H3.
What are the key properties of 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol?
3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43748567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).